2,4-dimethyl-1-undecan-6-ylcycloheptene

C20H38 — CID 123240497

IUPAC2,4-dimethyl-1-undecan-6-ylcycloheptene
SMILESCCCCCC(CCCCC)C1=C(C)CC(C)CCC1
InChIInChI=1S/C20H38/c1-5-7-9-13-19(14-10-8-6-2)20-15-11-12-17(3)16-18(20)4/h17,19H,5-16H2,1-4H3
InChIKeyULCJNYWIIQKSMB-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.29
Rot. Bonds9

About 2,4-dimethyl-1-undecan-6-ylcycloheptene

2,4-dimethyl-1-undecan-6-ylcycloheptene (PubChem CID 123240497) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 2,4-dimethyl-1-undecan-6-ylcycloheptene.

Molecular Properties

Compound Name2,4-dimethyl-1-undecan-6-ylcycloheptene
PubChem CID123240497
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name2,4-dimethyl-1-undecan-6-ylcycloheptene
SMILESCCCCCC(CCCCC)C1=C(C)CC(C)CCC1
InChIInChI=1S/C20H38/c1-5-7-9-13-19(14-10-8-6-2)20-15-11-12-17(3)16-18(20)4/h17,19H,5-16H2,1-4H3
InChIKeyULCJNYWIIQKSMB-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-pentylcyclohexene
CID 175171026
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran
CID 143716422
(1S,2R,4S)-2-henicosan-11-yl-1,4-dimethylcyclohexane
CID 98523786
heptane;methoxymethane;methylcyclobutane
CID 168881474
ethane;tris(methylcyclohexane);octane
CID 142912940
5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-thiopyran
CID 143716523
2-decan-4-yl-1,4-dimethylcyclohexane
CID 123729165
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
(1E)-1-butylidene-3-methylcyclohexane
CID 10606948
N-[(3-methylcyclohexylidene)amino]hexanamide
CID 3593486

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-undecan-6-ylcycloheptene?
The IUPAC name of 2,4-dimethyl-1-undecan-6-ylcycloheptene (CID 123240497) is 2,4-dimethyl-1-undecan-6-ylcycloheptene.
What is the SMILES notation for 2,4-dimethyl-1-undecan-6-ylcycloheptene?
The canonical SMILES for 2,4-dimethyl-1-undecan-6-ylcycloheptene is CCCCCC(CCCCC)C1=C(C)CC(C)CCC1.
What is the InChIKey of 2,4-dimethyl-1-undecan-6-ylcycloheptene?
The InChIKey is ULCJNYWIIQKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-5-7-9-13-19(14-10-8-6-2)20-15-11-12-17(3)16-18(20)4/h17,19H,5-16H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-undecan-6-ylcycloheptene?
2,4-dimethyl-1-undecan-6-ylcycloheptene has a molecular weight of 278.52 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-undecan-6-ylcycloheptene is sourced from PubChem (CID 123240497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).