(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane

C18H35OP — CID 68894147

IUPAC(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane
SMILESCCC(C1CCCCC1)(C1CCCCC1)C(C)(C)OP
InChIInChI=1S/C18H35OP/c1-4-18(17(2,3)19-20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14,20H2,1-3H3
InChIKeyPRSRNOQDKDVNNU-UHFFFAOYSA-N
MW298.45 g/mol
LogP6.13
Rot. Bonds5

About (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane

(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane (PubChem CID 68894147) has the molecular formula C18H35OP and a molecular weight of 298.45 g/mol. Its IUPAC name is (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane.

Molecular Properties

Compound Name(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane
PubChem CID68894147
Molecular FormulaC18H35OP
Molecular Weight298.45 g/mol
Exact Mass298.24
IUPAC Name(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane
SMILESCCC(C1CCCCC1)(C1CCCCC1)C(C)(C)OP
InChIInChI=1S/C18H35OP/c1-4-18(17(2,3)19-20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14,20H2,1-3H3
InChIKeyPRSRNOQDKDVNNU-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
3-methylpentan-3-ylcycloundecane
CID 123467319
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
2-cyclohexylbutan-2-ol
CID 14023764
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
1,1-dicyclopentylpropylphosphane
CID 66992387
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
3-cyclononylpentane-3-thiol
CID 88869699
2-cyclopentylbutan-2-amine
CID 43810238
(2-cyclohexyl-2-methyl-3-phosphanylpropyl)phosphane
CID 58351246
tert-butylcyclopentadecane
CID 164774831

Frequently Asked Questions

What is the IUPAC name of (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane?
The IUPAC name of (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane (CID 68894147) is (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane.
What is the SMILES notation for (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane?
The canonical SMILES for (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane is CCC(C1CCCCC1)(C1CCCCC1)C(C)(C)OP.
What is the InChIKey of (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane?
The InChIKey is PRSRNOQDKDVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35OP/c1-4-18(17(2,3)19-20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14,20H2,1-3H3.
What are the key properties of (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane?
(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane has a molecular weight of 298.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane is sourced from PubChem (CID 68894147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).