di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane

C16H31P — CID 23135836

IUPACdi(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
SMILESCC(C)P(C(C)C)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H31P/c1-11(2)17(12(3)4)14-10-13-8-9-16(14,7)15(13,5)6/h11-14H,8-10H2,1-7H3
InChIKeyKTRKEDAAMQSGJO-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.50
Rot. Bonds3

About di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane

di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane (PubChem CID 23135836) has the molecular formula C16H31P and a molecular weight of 254.40 g/mol. Its IUPAC name is di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane.

Molecular Properties

Compound Namedi(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
PubChem CID23135836
Molecular FormulaC16H31P
Molecular Weight254.40 g/mol
Exact Mass254.22
IUPAC Namedi(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
SMILESCC(C)P(C(C)C)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H31P/c1-11(2)17(12(3)4)14-10-13-8-9-16(14,7)15(13,5)6/h11-14H,8-10H2,1-7H3
InChIKeyKTRKEDAAMQSGJO-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.50
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

dichloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 557323
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184297
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129408851
(1R)-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 127035578
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430
(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
CID 114986971
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55278790

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The IUPAC name of di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane (CID 23135836) is di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane.
What is the SMILES notation for di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The canonical SMILES for di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane is CC(C)P(C(C)C)C1CC2CCC1(C)C2(C)C.
What is the InChIKey of di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The InChIKey is KTRKEDAAMQSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31P/c1-11(2)17(12(3)4)14-10-13-8-9-16(14,7)15(13,5)6/h11-14H,8-10H2,1-7H3.
What are the key properties of di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane has a molecular weight of 254.40 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane is sourced from PubChem (CID 23135836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).