1-(cyclopentylmethoxy)octylcyclopentane

C19H36O — CID 156699626

IUPAC1-(cyclopentylmethoxy)octylcyclopentane
SMILESCCCCCCCC(OCC1CCCC1)C1CCCC1
InChIInChI=1S/C19H36O/c1-2-3-4-5-6-15-19(18-13-9-10-14-18)20-16-17-11-7-8-12-17/h17-19H,2-16H2,1H3
InChIKeyZWZJOSBTEGHNSJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.11
Rot. Bonds10

About 1-(cyclopentylmethoxy)octylcyclopentane

1-(cyclopentylmethoxy)octylcyclopentane (PubChem CID 156699626) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)octylcyclopentane.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)octylcyclopentane
PubChem CID156699626
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-(cyclopentylmethoxy)octylcyclopentane
SMILESCCCCCCCC(OCC1CCCC1)C1CCCC1
InChIInChI=1S/C19H36O/c1-2-3-4-5-6-15-19(18-13-9-10-14-18)20-16-17-11-7-8-12-17/h17-19H,2-16H2,1H3
InChIKeyZWZJOSBTEGHNSJ-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.11
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)nonylcyclopentane
CID 172556849
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)octylcyclopentane?
The IUPAC name of 1-(cyclopentylmethoxy)octylcyclopentane (CID 156699626) is 1-(cyclopentylmethoxy)octylcyclopentane.
What is the SMILES notation for 1-(cyclopentylmethoxy)octylcyclopentane?
The canonical SMILES for 1-(cyclopentylmethoxy)octylcyclopentane is CCCCCCCC(OCC1CCCC1)C1CCCC1.
What is the InChIKey of 1-(cyclopentylmethoxy)octylcyclopentane?
The InChIKey is ZWZJOSBTEGHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-2-3-4-5-6-15-19(18-13-9-10-14-18)20-16-17-11-7-8-12-17/h17-19H,2-16H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)octylcyclopentane?
1-(cyclopentylmethoxy)octylcyclopentane has a molecular weight of 280.50 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)octylcyclopentane is sourced from PubChem (CID 156699626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).