1,2-dimethyl-3-(2-methylheptyl)cyclobutane

C14H28 — CID 123911286

IUPAC1,2-dimethyl-3-(2-methylheptyl)cyclobutane
SMILESCCCCCC(C)CC1CC(C)C1C
InChIInChI=1S/C14H28/c1-5-6-7-8-11(2)9-14-10-12(3)13(14)4/h11-14H,5-10H2,1-4H3
InChIKeyDXRWCMRBZJLHPV-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds6

About 1,2-dimethyl-3-(2-methylheptyl)cyclobutane

1,2-dimethyl-3-(2-methylheptyl)cyclobutane (PubChem CID 123911286) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylheptyl)cyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylheptyl)cyclobutane
PubChem CID123911286
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,2-dimethyl-3-(2-methylheptyl)cyclobutane
SMILESCCCCCC(C)CC1CC(C)C1C
InChIInChI=1S/C14H28/c1-5-6-7-8-11(2)9-14-10-12(3)13(14)4/h11-14H,5-10H2,1-4H3
InChIKeyDXRWCMRBZJLHPV-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
CID 123179311
2-methyltridecylcyclopropane
CID 123424034
1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
CID 91456729
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane
CID 91067636
(7R)-7-methyltricosane
CID 162971691
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylheptyl)cyclobutane?
The IUPAC name of 1,2-dimethyl-3-(2-methylheptyl)cyclobutane (CID 123911286) is 1,2-dimethyl-3-(2-methylheptyl)cyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylheptyl)cyclobutane?
The canonical SMILES for 1,2-dimethyl-3-(2-methylheptyl)cyclobutane is CCCCCC(C)CC1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylheptyl)cyclobutane?
The InChIKey is DXRWCMRBZJLHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-6-7-8-11(2)9-14-10-12(3)13(14)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-(2-methylheptyl)cyclobutane?
1,2-dimethyl-3-(2-methylheptyl)cyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylheptyl)cyclobutane is sourced from PubChem (CID 123911286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).