1-(2,3-dimethylbutyl)-2-methylcycloheptane

C14H28 — CID 123895623

IUPAC1-(2,3-dimethylbutyl)-2-methylcycloheptane
SMILESCC(C)C(C)CC1CCCCCC1C
InChIInChI=1S/C14H28/c1-11(2)13(4)10-14-9-7-5-6-8-12(14)3/h11-14H,5-10H2,1-4H3
InChIKeyOHKOLHSGEIJLQI-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds3

About 1-(2,3-dimethylbutyl)-2-methylcycloheptane

1-(2,3-dimethylbutyl)-2-methylcycloheptane (PubChem CID 123895623) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-2-methylcycloheptane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-2-methylcycloheptane
PubChem CID123895623
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(2,3-dimethylbutyl)-2-methylcycloheptane
SMILESCC(C)C(C)CC1CCCCCC1C
InChIInChI=1S/C14H28/c1-11(2)13(4)10-14-9-7-5-6-8-12(14)3/h11-14H,5-10H2,1-4H3
InChIKeyOHKOLHSGEIJLQI-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-methyl-3-[(1S,2S)-2-methylcyclohexyl]propanal
CID 89224154
2,3-dimethylbutylcyclodecane
CID 123220792
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958
(2-methylcyclodecyl)methanamine
CID 163635360
N-(2,3-dimethylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 64569259
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
CID 69123864
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-2-methylcycloheptane?
The IUPAC name of 1-(2,3-dimethylbutyl)-2-methylcycloheptane (CID 123895623) is 1-(2,3-dimethylbutyl)-2-methylcycloheptane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-2-methylcycloheptane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-2-methylcycloheptane is CC(C)C(C)CC1CCCCCC1C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-2-methylcycloheptane?
The InChIKey is OHKOLHSGEIJLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)13(4)10-14-9-7-5-6-8-12(14)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutyl)-2-methylcycloheptane?
1-(2,3-dimethylbutyl)-2-methylcycloheptane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-2-methylcycloheptane is sourced from PubChem (CID 123895623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).