1,2-dibutyl-1-cyclopentylcyclopentane

C18H34 — CID 174805114

IUPAC1,2-dibutyl-1-cyclopentylcyclopentane
SMILESCCCCC1CCCC1(CCCC)C1CCCC1
InChIInChI=1S/C18H34/c1-3-5-10-16-13-9-15-18(16,14-6-4-2)17-11-7-8-12-17/h16-17H,3-15H2,1-2H3
InChIKeyLWIRXRCPDXHSEW-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.34
Rot. Bonds7

About 1,2-dibutyl-1-cyclopentylcyclopentane

1,2-dibutyl-1-cyclopentylcyclopentane (PubChem CID 174805114) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,2-dibutyl-1-cyclopentylcyclopentane.

Molecular Properties

Compound Name1,2-dibutyl-1-cyclopentylcyclopentane
PubChem CID174805114
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,2-dibutyl-1-cyclopentylcyclopentane
SMILESCCCCC1CCCC1(CCCC)C1CCCC1
InChIInChI=1S/C18H34/c1-3-5-10-16-13-9-15-18(16,14-6-4-2)17-11-7-8-12-17/h16-17H,3-15H2,1-2H3
InChIKeyLWIRXRCPDXHSEW-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-butyl-1-cycloheptylcycloheptane
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[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
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4-[(4aR,8aS)-8a-butyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]cyclohexane-1-carbonitrile
CID 22825773
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047
trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
CID 71415303
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684
4-octylspiro[4.5]decane
CID 139968258
CID 174821997
CID 174821997
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-1-cyclopentylcyclopentane?
The IUPAC name of 1,2-dibutyl-1-cyclopentylcyclopentane (CID 174805114) is 1,2-dibutyl-1-cyclopentylcyclopentane.
What is the SMILES notation for 1,2-dibutyl-1-cyclopentylcyclopentane?
The canonical SMILES for 1,2-dibutyl-1-cyclopentylcyclopentane is CCCCC1CCCC1(CCCC)C1CCCC1.
What is the InChIKey of 1,2-dibutyl-1-cyclopentylcyclopentane?
The InChIKey is LWIRXRCPDXHSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-10-16-13-9-15-18(16,14-6-4-2)17-11-7-8-12-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 1,2-dibutyl-1-cyclopentylcyclopentane?
1,2-dibutyl-1-cyclopentylcyclopentane has a molecular weight of 250.47 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-1-cyclopentylcyclopentane is sourced from PubChem (CID 174805114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).