[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane

C18H37P — CID 131981008

IUPAC[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
SMILESCCC1C(C)C(CC(P)C(C)C)C(C)(C)CC1(C)C
InChIInChI=1S/C18H37P/c1-9-14-13(4)15(10-16(19)12(2)3)18(7,8)11-17(14,5)6/h12-16H,9-11,19H2,1-8H3
InChIKeyQMKDPWVFRHRVRW-UHFFFAOYSA-N
MW284.47 g/mol
LogP6.01
Rot. Bonds4

About [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane

[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane (PubChem CID 131981008) has the molecular formula C18H37P and a molecular weight of 284.47 g/mol. Its IUPAC name is [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane.

Molecular Properties

Compound Name[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
PubChem CID131981008
Molecular FormulaC18H37P
Molecular Weight284.47 g/mol
Exact Mass284.26
IUPAC Name[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
SMILESCCC1C(C)C(CC(P)C(C)C)C(C)(C)CC1(C)C
InChIInChI=1S/C18H37P/c1-9-14-13(4)15(10-16(19)12(2)3)18(7,8)11-17(14,5)6/h12-16H,9-11,19H2,1-8H3
InChIKeyQMKDPWVFRHRVRW-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane?
The IUPAC name of [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane (CID 131981008) is [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane.
What is the SMILES notation for [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane?
The canonical SMILES for [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane is CCC1C(C)C(CC(P)C(C)C)C(C)(C)CC1(C)C.
What is the InChIKey of [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane?
The InChIKey is QMKDPWVFRHRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37P/c1-9-14-13(4)15(10-16(19)12(2)3)18(7,8)11-17(14,5)6/h12-16H,9-11,19H2,1-8H3.
What are the key properties of [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane?
[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane has a molecular weight of 284.47 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane is sourced from PubChem (CID 131981008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).