[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane

C44H76P2 — CID 22883014

IUPAC[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane
SMILESCC1(C)C2CCC(CP(CCCCP(CC3CCC4CC3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)C1C2
InChIInChI=1S/C44H76P2/c1-41(2)33-15-11-29(37(41)21-33)25-45(26-30-12-16-34-22-38(30)42(34,3)4)19-9-10-20-46(27-31-13-17-35-23-39(31)43(35,5)6)28-32-14-18-36-24-40(32)44(36,7)8/h29-40H,9-28H2,1-8H3/t29?,30?,31?,32?,33-,34?,35-,36?,37-,38?,39-,40?,45?,46?/m0/s1
InChIKeyYKZJWICLWORPDC-ZVWZGDLKSA-N
MW667.04 g/mol
LogP13.02
Rot. Bonds13

About [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane

[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane (PubChem CID 22883014) has the molecular formula C44H76P2 and a molecular weight of 667.04 g/mol. Its IUPAC name is [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane.

Molecular Properties

Compound Name[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane
PubChem CID22883014
Molecular FormulaC44H76P2
Molecular Weight667.04 g/mol
Exact Mass666.54
IUPAC Name[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane
SMILESCC1(C)C2CCC(CP(CCCCP(CC3CCC4CC3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)C1C2
InChIInChI=1S/C44H76P2/c1-41(2)33-15-11-29(37(41)21-33)25-45(26-30-12-16-34-22-38(30)42(34,3)4)19-9-10-20-46(27-31-13-17-35-23-39(31)43(35,5)6)28-32-14-18-36-24-40(32)44(36,7)8/h29-40H,9-28H2,1-8H3/t29?,30?,31?,32?,33-,34?,35-,36?,37-,38?,39-,40?,45?,46?/m0/s1
InChIKeyYKZJWICLWORPDC-ZVWZGDLKSA-N
XLogP13.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.04
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane with MolForge

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Related Compounds

2-[bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphanyl]ethyl-bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphane
CID 11115034
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane
CID 135048273
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757
1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
CID 89377744
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury
CID 131877018
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl-triethylazanium
CID 90645928
[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-diethylborane
CID 11830577
N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
CID 130840903

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane?
The IUPAC name of [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane (CID 22883014) is [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane.
What is the SMILES notation for [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane?
The canonical SMILES for [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane is CC1(C)C2CCC(CP(CCCCP(CC3CCC4CC3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)CC3CC[C@H]4C[C@@H]3C4(C)C)C1C2.
What is the InChIKey of [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane?
The InChIKey is YKZJWICLWORPDC-ZVWZGDLKSA-N. The full InChI is InChI=1S/C44H76P2/c1-41(2)33-15-11-29(37(41)21-33)25-45(26-30-12-16-34-22-38(30)42(34,3)4)19-9-10-20-46(27-31-13-17-35-23-39(31)43(35,5)6)28-32-14-18-36-24-40(32)44(36,7)8/h29-40H,9-28H2,1-8H3/t29?,30?,31?,32?,33-,34?,35-,36?,37-,38?,39-,40?,45?,46?/m0/s1.
What are the key properties of [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane?
[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane has a molecular weight of 667.04 g/mol, XLogP of 13.02, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane is sourced from PubChem (CID 22883014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).