1,7-dimethylcycloheptene

C9H16 — CID 13493194

IUPAC1,7-dimethylcycloheptene
SMILESCC1=CCCCCC1C
InChIInChI=1S/C9H16/c1-8-6-4-3-5-7-9(8)2/h6,9H,3-5,7H2,1-2H3
InChIKeyTULQZTAPZBYHRY-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About 1,7-dimethylcycloheptene

1,7-dimethylcycloheptene (PubChem CID 13493194) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,7-dimethylcycloheptene.

Molecular Properties

Compound Name1,7-dimethylcycloheptene
PubChem CID13493194
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,7-dimethylcycloheptene
SMILESCC1=CCCCCC1C
InChIInChI=1S/C9H16/c1-8-6-4-3-5-7-9(8)2/h6,9H,3-5,7H2,1-2H3
InChIKeyTULQZTAPZBYHRY-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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

1,6,7-trimethylcycloheptene
CID 91039124
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
1,4,7-trimethylcycloheptene
CID 123852722
1-chloro-6-methylcyclohexene
CID 565192
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
CID 178125074
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 143696880
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
CID 163748549
(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
CID 142404527
9-methylcyclopentadecene
CID 154291341
methylcyclopentane;1,3,5-trimethylbenzene
CID 159091428

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylcycloheptene?
The IUPAC name of 1,7-dimethylcycloheptene (CID 13493194) is 1,7-dimethylcycloheptene.
What is the SMILES notation for 1,7-dimethylcycloheptene?
The canonical SMILES for 1,7-dimethylcycloheptene is CC1=CCCCCC1C.
What is the InChIKey of 1,7-dimethylcycloheptene?
The InChIKey is TULQZTAPZBYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8-6-4-3-5-7-9(8)2/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1,7-dimethylcycloheptene?
1,7-dimethylcycloheptene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylcycloheptene is sourced from PubChem (CID 13493194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).