5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene

C16H26 — CID 143250465

IUPAC5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
SMILESCCC1=CCCC(C2CCC=C(C)CC2)C1
InChIInChI=1S/C16H26/c1-3-14-7-5-9-16(12-14)15-8-4-6-13(2)10-11-15/h6-7,15-16H,3-5,8-12H2,1-2H3
InChIKeyKRCPQKIUZCPRKF-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds2

About 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene

5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene (PubChem CID 143250465) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene.

Molecular Properties

Compound Name5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
PubChem CID143250465
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
SMILESCCC1=CCCC(C2CCC=C(C)CC2)C1
InChIInChI=1S/C16H26/c1-3-14-7-5-9-16(12-14)15-8-4-6-13(2)10-11-15/h6-7,15-16H,3-5,8-12H2,1-2H3
InChIKeyKRCPQKIUZCPRKF-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
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-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
CID 59765969
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165
1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 160530479
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
4-ethylcyclohept-4-en-1-ol
CID 91248239
6-ethenyl-1-ethylcycloheptene
CID 141316473
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene?
The IUPAC name of 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene (CID 143250465) is 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene.
What is the SMILES notation for 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene?
The canonical SMILES for 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene is CCC1=CCCC(C2CCC=C(C)CC2)C1.
What is the InChIKey of 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene?
The InChIKey is KRCPQKIUZCPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-14-7-5-9-16(12-14)15-8-4-6-13(2)10-11-15/h6-7,15-16H,3-5,8-12H2,1-2H3.
What are the key properties of 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene?
5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene has a molecular weight of 218.38 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene is sourced from PubChem (CID 143250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).