[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane

C13H27OP — CID 167083252

IUPAC[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane
SMILESCC1CCC(COP)(C(C)C(C)C)CC1
InChIInChI=1S/C13H27OP/c1-10(2)12(4)13(9-14-15)7-5-11(3)6-8-13/h10-12H,5-9,15H2,1-4H3
InChIKeyGJXBJFKLGKLCSS-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.28
Rot. Bonds4

About [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane

[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane (PubChem CID 167083252) has the molecular formula C13H27OP and a molecular weight of 230.33 g/mol. Its IUPAC name is [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane.

Molecular Properties

Compound Name[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane
PubChem CID167083252
Molecular FormulaC13H27OP
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane
SMILESCC1CCC(COP)(C(C)C(C)C)CC1
InChIInChI=1S/C13H27OP/c1-10(2)12(4)13(9-14-15)7-5-11(3)6-8-13/h10-12H,5-9,15H2,1-4H3
InChIKeyGJXBJFKLGKLCSS-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane?
The IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane (CID 167083252) is [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane.
What is the SMILES notation for [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane?
The canonical SMILES for [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane is CC1CCC(COP)(C(C)C(C)C)CC1.
What is the InChIKey of [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane?
The InChIKey is GJXBJFKLGKLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27OP/c1-10(2)12(4)13(9-14-15)7-5-11(3)6-8-13/h10-12H,5-9,15H2,1-4H3.
What are the key properties of [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane?
[4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane has a molecular weight of 230.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylbutan-2-yl)cyclohexyl]methoxyphosphane is sourced from PubChem (CID 167083252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).