1,6,7-trimethylcycloheptene

C10H18 — CID 91039124

IUPAC1,6,7-trimethylcycloheptene
SMILESCC1=CCCCC(C)C1C
InChIInChI=1S/C10H18/c1-8-6-4-5-7-9(2)10(8)3/h6,9-10H,4-5,7H2,1-3H3
InChIKeyZAPJAFUGDUYDNV-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 1,6,7-trimethylcycloheptene

1,6,7-trimethylcycloheptene (PubChem CID 91039124) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,6,7-trimethylcycloheptene.

Molecular Properties

Compound Name1,6,7-trimethylcycloheptene
PubChem CID91039124
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,6,7-trimethylcycloheptene
SMILESCC1=CCCCC(C)C1C
InChIInChI=1S/C10H18/c1-8-6-4-5-7-9(2)10(8)3/h6,9-10H,4-5,7H2,1-3H3
InChIKeyZAPJAFUGDUYDNV-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
1,7-dimethylcycloheptene
CID 13493194
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
CID 178125074
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
6-(2-chloroethynyl)-1-methylcyclohexene
CID 21482545
2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
1-chloro-6-methylcyclohexene
CID 565192
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylcycloheptene?
The IUPAC name of 1,6,7-trimethylcycloheptene (CID 91039124) is 1,6,7-trimethylcycloheptene.
What is the SMILES notation for 1,6,7-trimethylcycloheptene?
The canonical SMILES for 1,6,7-trimethylcycloheptene is CC1=CCCCC(C)C1C.
What is the InChIKey of 1,6,7-trimethylcycloheptene?
The InChIKey is ZAPJAFUGDUYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-4-5-7-9(2)10(8)3/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 1,6,7-trimethylcycloheptene?
1,6,7-trimethylcycloheptene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylcycloheptene is sourced from PubChem (CID 91039124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).