[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane

C15H27OP — CID 146244314

IUPAC[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane
SMILESC=PC1CCCCC1[C@@]1(C)CCCC[C@H]1OC
InChIInChI=1S/C15H27OP/c1-15(11-7-6-10-14(15)16-2)12-8-4-5-9-13(12)17-3/h12-14H,3-11H2,1-2H3/t12?,13?,14-,15-/m1/s1
InChIKeyCXGJSNPXVYOERN-NEXFUWMNSA-N
MW254.35 g/mol
LogP4.52
Rot. Bonds3

About [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane

[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane (PubChem CID 146244314) has the molecular formula C15H27OP and a molecular weight of 254.35 g/mol. Its IUPAC name is [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane.

Molecular Properties

Compound Name[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane
PubChem CID146244314
Molecular FormulaC15H27OP
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane
SMILESC=PC1CCCCC1[C@@]1(C)CCCC[C@H]1OC
InChIInChI=1S/C15H27OP/c1-15(11-7-6-10-14(15)16-2)12-8-4-5-9-13(12)17-3/h12-14H,3-11H2,1-2H3/t12?,13?,14-,15-/m1/s1
InChIKeyCXGJSNPXVYOERN-NEXFUWMNSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.52
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 [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane?
The IUPAC name of [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane (CID 146244314) is [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane.
What is the SMILES notation for [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane?
The canonical SMILES for [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane is C=PC1CCCCC1[C@@]1(C)CCCC[C@H]1OC.
What is the InChIKey of [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane?
The InChIKey is CXGJSNPXVYOERN-NEXFUWMNSA-N. The full InChI is InChI=1S/C15H27OP/c1-15(11-7-6-10-14(15)16-2)12-8-4-5-9-13(12)17-3/h12-14H,3-11H2,1-2H3/t12?,13?,14-,15-/m1/s1.
What are the key properties of [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane?
[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane has a molecular weight of 254.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane is sourced from PubChem (CID 146244314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).