(2R,5R)-1,2,5-tricyclohexylphospholane

C22H39P — CID 101395115

IUPAC(2R,5R)-1,2,5-tricyclohexylphospholane
SMILESC1CCC([C@H]2CC[C@H](C3CCCCC3)P2C2CCCCC2)CC1
InChIInChI=1S/C22H39P/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)23(21)20-14-8-3-9-15-20/h18-22H,1-17H2/t21-,22-/m1/s1
InChIKeyKJHKEGZHYXGXPD-FGZHOGPDSA-N
MW334.53 g/mol
LogP7.49
Rot. Bonds3

About (2R,5R)-1,2,5-tricyclohexylphospholane

(2R,5R)-1,2,5-tricyclohexylphospholane (PubChem CID 101395115) has the molecular formula C22H39P and a molecular weight of 334.53 g/mol. Its IUPAC name is (2R,5R)-1,2,5-tricyclohexylphospholane.

Molecular Properties

Compound Name(2R,5R)-1,2,5-tricyclohexylphospholane
PubChem CID101395115
Molecular FormulaC22H39P
Molecular Weight334.53 g/mol
Exact Mass334.28
IUPAC Name(2R,5R)-1,2,5-tricyclohexylphospholane
SMILESC1CCC([C@H]2CC[C@H](C3CCCCC3)P2C2CCCCC2)CC1
InChIInChI=1S/C22H39P/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)23(21)20-14-8-3-9-15-20/h18-22H,1-17H2/t21-,22-/m1/s1
InChIKeyKJHKEGZHYXGXPD-FGZHOGPDSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-1,2,6-tricyclohexylphosphinan-4-one
CID 101418777
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
CID 11454879
CID 134886033
CID 134886033

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,2,5-tricyclohexylphospholane?
The IUPAC name of (2R,5R)-1,2,5-tricyclohexylphospholane (CID 101395115) is (2R,5R)-1,2,5-tricyclohexylphospholane.
What is the SMILES notation for (2R,5R)-1,2,5-tricyclohexylphospholane?
The canonical SMILES for (2R,5R)-1,2,5-tricyclohexylphospholane is C1CCC([C@H]2CC[C@H](C3CCCCC3)P2C2CCCCC2)CC1.
What is the InChIKey of (2R,5R)-1,2,5-tricyclohexylphospholane?
The InChIKey is KJHKEGZHYXGXPD-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H39P/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)23(21)20-14-8-3-9-15-20/h18-22H,1-17H2/t21-,22-/m1/s1.
What are the key properties of (2R,5R)-1,2,5-tricyclohexylphospholane?
(2R,5R)-1,2,5-tricyclohexylphospholane has a molecular weight of 334.53 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,2,5-tricyclohexylphospholane is sourced from PubChem (CID 101395115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).