2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane

C18H32 — CID 91422039

IUPAC2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane
SMILESCC(C)CCC1(C)CCC(C2CC3CCC32)C1C
InChIInChI=1S/C18H32/c1-12(2)7-9-18(4)10-8-15(13(18)3)17-11-14-5-6-16(14)17/h12-17H,5-11H2,1-4H3
InChIKeyZXHVMSCKMMZABX-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.52
Rot. Bonds4

About 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane

2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane (PubChem CID 91422039) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane
PubChem CID91422039
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane
SMILESCC(C)CCC1(C)CCC(C2CC3CCC32)C1C
InChIInChI=1S/C18H32/c1-12(2)7-9-18(4)10-8-15(13(18)3)17-11-14-5-6-16(14)17/h12-17H,5-11H2,1-4H3
InChIKeyZXHVMSCKMMZABX-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S,8R)-13-methyl-17-(5-methylhexyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
CID 170098560
(3S,8R,13R)-17-(2-hydroxy-5-methylhexyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
CID 167251636
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
CID 79320532
2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
CID 123763247
2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
CID 64773954
(3S,13R,17S)-3,13-dimethyl-17-(5-methylhexyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 168939471
ethane;methane;9,9,10-trimethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11,11a,11b-hexadecahydrobenzo[a]fluorene;16,16,17-trimethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthrene
CID 158533520
ethane;methane;13-methyl-17-(5-methylhexyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen
CID 142333023
(2R,4aS,4bR,8S,8aR,10aR)-2,7,7,8-tetramethyl-1,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
CID 155396202

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane?
The IUPAC name of 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane (CID 91422039) is 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane?
The canonical SMILES for 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane is CC(C)CCC1(C)CCC(C2CC3CCC32)C1C.
What is the InChIKey of 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane?
The InChIKey is ZXHVMSCKMMZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-12(2)7-9-18(4)10-8-15(13(18)3)17-11-14-5-6-16(14)17/h12-17H,5-11H2,1-4H3.
What are the key properties of 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane?
2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane has a molecular weight of 248.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane is sourced from PubChem (CID 91422039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).