1-(cyclopentylmethoxy)nonylcyclopentane

C20H38O — CID 172556849

IUPAC1-(cyclopentylmethoxy)nonylcyclopentane
SMILESCCCCCCCCC(OCC1CCCC1)C1CCCC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-16-20(19-14-10-11-15-19)21-17-18-12-8-9-13-18/h18-20H,2-17H2,1H3
InChIKeyKHDXSTUOSBTFSK-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.50
Rot. Bonds11

About 1-(cyclopentylmethoxy)nonylcyclopentane

1-(cyclopentylmethoxy)nonylcyclopentane (PubChem CID 172556849) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)nonylcyclopentane.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)nonylcyclopentane
PubChem CID172556849
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-(cyclopentylmethoxy)nonylcyclopentane
SMILESCCCCCCCCC(OCC1CCCC1)C1CCCC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-16-20(19-14-10-11-15-19)21-17-18-12-8-9-13-18/h18-20H,2-17H2,1H3
InChIKeyKHDXSTUOSBTFSK-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethoxy)octylcyclopentane
CID 156699626
tris(1-cyclohexylhexadecyl) phosphate
CID 88626297
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
1-cyclopentyldecan-2-amine
CID 115835607
1,10-di(cyclooctyl)decyl decanoate
CID 57250235
1-(cyclohexylmethoxy)hexane-1-sulfonamide
CID 67179388
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptylheptan-2-amine
CID 115837607
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)nonylcyclopentane?
The IUPAC name of 1-(cyclopentylmethoxy)nonylcyclopentane (CID 172556849) is 1-(cyclopentylmethoxy)nonylcyclopentane.
What is the SMILES notation for 1-(cyclopentylmethoxy)nonylcyclopentane?
The canonical SMILES for 1-(cyclopentylmethoxy)nonylcyclopentane is CCCCCCCCC(OCC1CCCC1)C1CCCC1.
What is the InChIKey of 1-(cyclopentylmethoxy)nonylcyclopentane?
The InChIKey is KHDXSTUOSBTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-4-5-6-7-16-20(19-14-10-11-15-19)21-17-18-12-8-9-13-18/h18-20H,2-17H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)nonylcyclopentane?
1-(cyclopentylmethoxy)nonylcyclopentane has a molecular weight of 294.52 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)nonylcyclopentane is sourced from PubChem (CID 172556849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).