5-ethylidene-1-methylcycloheptene

C10H16 — CID 27253

IUPAC5-ethylidene-1-methylcycloheptene
SMILESCC=C1CCC=C(C)CC1
InChIInChI=1S/C10H16/c1-3-10-6-4-5-9(2)7-8-10/h3,5H,4,6-8H2,1-2H3
InChIKeyHQVYRYNHRRUKSO-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds

About 5-ethylidene-1-methylcycloheptene

5-ethylidene-1-methylcycloheptene (PubChem CID 27253) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-ethylidene-1-methylcycloheptene.

Molecular Properties

Compound Name5-ethylidene-1-methylcycloheptene
PubChem CID27253
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-ethylidene-1-methylcycloheptene
SMILESCC=C1CCC=C(C)CC1
InChIInChI=1S/C10H16/c1-3-10-6-4-5-9(2)7-8-10/h3,5H,4,6-8H2,1-2H3
InChIKeyHQVYRYNHRRUKSO-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
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

Terpinolene
CID 11463
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
Germacrene B
CID 5281519
3-Undecene, (3E)-
CID 5362751
gamma-Bisabolene
CID 62346
Geraniolene
CID 81203
gamma-BISABOLENE, (E)-
CID 5352437
trans-2-Decene
CID 32899
1-Ethylcyclohexene
CID 73937
4-Propyl-3-heptene
CID 138270

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1-methylcycloheptene?
The IUPAC name of 5-ethylidene-1-methylcycloheptene (CID 27253) is 5-ethylidene-1-methylcycloheptene.
What is the SMILES notation for 5-ethylidene-1-methylcycloheptene?
The canonical SMILES for 5-ethylidene-1-methylcycloheptene is CC=C1CCC=C(C)CC1.
What is the InChIKey of 5-ethylidene-1-methylcycloheptene?
The InChIKey is HQVYRYNHRRUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-10-6-4-5-9(2)7-8-10/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 5-ethylidene-1-methylcycloheptene?
5-ethylidene-1-methylcycloheptene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1-methylcycloheptene is sourced from PubChem (CID 27253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).