ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane

C21H46 — CID 168937920

IUPACethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane
SMILESCC.CCC(C)C.CCCC(C)C(C)C1CCCC1CC
InChIInChI=1S/C14H28.C5H12.C2H6/c1-5-8-11(3)12(4)14-10-7-9-13(14)6-2;1-4-5(2)3;1-2/h11-14H,5-10H2,1-4H3;5H,4H2,1-3H3;1-2H3
InChIKeyKVYNAYYFLUAKNP-UHFFFAOYSA-N
MW298.60 g/mol
LogP7.96
Rot. Bonds6

About ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane

ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane (PubChem CID 168937920) has the molecular formula C21H46 and a molecular weight of 298.60 g/mol. Its IUPAC name is ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane.

Molecular Properties

Compound Nameethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane
PubChem CID168937920
Molecular FormulaC21H46
Molecular Weight298.60 g/mol
Exact Mass298.36
IUPAC Nameethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane
SMILESCC.CCC(C)C.CCCC(C)C(C)C1CCCC1CC
InChIInChI=1S/C14H28.C5H12.C2H6/c1-5-8-11(3)12(4)14-10-7-9-13(14)6-2;1-4-5(2)3;1-2/h11-14H,5-10H2,1-4H3;5H,4H2,1-3H3;1-2H3
InChIKeyKVYNAYYFLUAKNP-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.60
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane
CID 123395792
ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329638
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
CID 71071156
2-ethyl-6-propan-2-ylcyclohexan-1-ol
CID 58534394
1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329639

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane?
The IUPAC name of ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane (CID 168937920) is ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane.
What is the SMILES notation for ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane?
The canonical SMILES for ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane is CC.CCC(C)C.CCCC(C)C(C)C1CCCC1CC.
What is the InChIKey of ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane?
The InChIKey is KVYNAYYFLUAKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C5H12.C2H6/c1-5-8-11(3)12(4)14-10-7-9-13(14)6-2;1-4-5(2)3;1-2/h11-14H,5-10H2,1-4H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane?
ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane has a molecular weight of 298.60 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane is sourced from PubChem (CID 168937920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).