[heptyl(propan-2-yl)phosphoryl]cyclopentane

C15H31OP — CID 149151596

IUPAC[heptyl(propan-2-yl)phosphoryl]cyclopentane
SMILESCCCCCCCP(=O)(C(C)C)C1CCCC1
InChIInChI=1S/C15H31OP/c1-4-5-6-7-10-13-17(16,14(2)3)15-11-8-9-12-15/h14-15H,4-13H2,1-3H3
InChIKeyCXRVEWWKFSEDKU-UHFFFAOYSA-N
MW258.39 g/mol
LogP5.67
Rot. Bonds8

About [heptyl(propan-2-yl)phosphoryl]cyclopentane

[heptyl(propan-2-yl)phosphoryl]cyclopentane (PubChem CID 149151596) has the molecular formula C15H31OP and a molecular weight of 258.39 g/mol. Its IUPAC name is [heptyl(propan-2-yl)phosphoryl]cyclopentane.

Molecular Properties

Compound Name[heptyl(propan-2-yl)phosphoryl]cyclopentane
PubChem CID149151596
Molecular FormulaC15H31OP
Molecular Weight258.39 g/mol
Exact Mass258.21
IUPAC Name[heptyl(propan-2-yl)phosphoryl]cyclopentane
SMILESCCCCCCCP(=O)(C(C)C)C1CCCC1
InChIInChI=1S/C15H31OP/c1-4-5-6-7-10-13-17(16,14(2)3)15-11-8-9-12-15/h14-15H,4-13H2,1-3H3
InChIKeyCXRVEWWKFSEDKU-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-di(propan-2-yl)phosphorylhexane
CID 118005935
1-[methyl(propan-2-yl)phosphoryl]nonane
CID 167168561
1-di(butan-2-yl)phosphoryloctane
CID 85086346
1-di(butan-2-yl)phosphorylheptane
CID 11276975
1-di(propan-2-yl)phosphoryloctane;phosphane;hydrate
CID 163644954
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
[butyl(methoxy)phosphoryl]cyclopentane
CID 174817871
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725

Frequently Asked Questions

What is the IUPAC name of [heptyl(propan-2-yl)phosphoryl]cyclopentane?
The IUPAC name of [heptyl(propan-2-yl)phosphoryl]cyclopentane (CID 149151596) is [heptyl(propan-2-yl)phosphoryl]cyclopentane.
What is the SMILES notation for [heptyl(propan-2-yl)phosphoryl]cyclopentane?
The canonical SMILES for [heptyl(propan-2-yl)phosphoryl]cyclopentane is CCCCCCCP(=O)(C(C)C)C1CCCC1.
What is the InChIKey of [heptyl(propan-2-yl)phosphoryl]cyclopentane?
The InChIKey is CXRVEWWKFSEDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OP/c1-4-5-6-7-10-13-17(16,14(2)3)15-11-8-9-12-15/h14-15H,4-13H2,1-3H3.
What are the key properties of [heptyl(propan-2-yl)phosphoryl]cyclopentane?
[heptyl(propan-2-yl)phosphoryl]cyclopentane has a molecular weight of 258.39 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [heptyl(propan-2-yl)phosphoryl]cyclopentane is sourced from PubChem (CID 149151596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).