(1E,2S)-1-ethylidene-2-methylcyclohexane

C9H16 — CID 148695286

IUPAC(1E,2S)-1-ethylidene-2-methylcyclohexane
SMILESC/C=C1\CCCC[C@@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1
InChIKeyNUHCEMOQRZEGAQ-FVKOELHVSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About (1E,2S)-1-ethylidene-2-methylcyclohexane

(1E,2S)-1-ethylidene-2-methylcyclohexane (PubChem CID 148695286) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1E,2S)-1-ethylidene-2-methylcyclohexane.

Molecular Properties

Compound Name(1E,2S)-1-ethylidene-2-methylcyclohexane
PubChem CID148695286
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1E,2S)-1-ethylidene-2-methylcyclohexane
SMILESC/C=C1\CCCC[C@@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1
InChIKeyNUHCEMOQRZEGAQ-FVKOELHVSA-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-methyl-2-(2-methylpropylidene)cycloheptane
CID 134902820
(2E)-2-[(2S)-2-methylcyclohexylidene]acetonitrile
CID 98172997
(2E)-2-[(2S)-2-methylcyclohexylidene]acetic acid
CID 12956886
(1E)-1-(3-chloropropylidene)-2-methylcyclohexane
CID 131357173
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
hydron;(2E)-2-(2-methylcyclopentylidene)ethanimine
CID 102271864
[(1S,5Z,6S)-5-ethylidene-2,6-dimethylcyclononyl] acetate
CID 71104012
2-ethylidenecyclopentan-1-ol
CID 72740887
1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
1-methyl-2-[(2-methylcyclohexylidene)methylidene]cyclohexane
CID 57098775
1-ethylidene-5-methylcyclooctane
CID 20872963
1-methyl-2,3-dimethylidenecycloheptane
CID 20744103

Frequently Asked Questions

What is the IUPAC name of (1E,2S)-1-ethylidene-2-methylcyclohexane?
The IUPAC name of (1E,2S)-1-ethylidene-2-methylcyclohexane (CID 148695286) is (1E,2S)-1-ethylidene-2-methylcyclohexane.
What is the SMILES notation for (1E,2S)-1-ethylidene-2-methylcyclohexane?
The canonical SMILES for (1E,2S)-1-ethylidene-2-methylcyclohexane is C/C=C1\CCCC[C@@H]1C.
What is the InChIKey of (1E,2S)-1-ethylidene-2-methylcyclohexane?
The InChIKey is NUHCEMOQRZEGAQ-FVKOELHVSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1.
What are the key properties of (1E,2S)-1-ethylidene-2-methylcyclohexane?
(1E,2S)-1-ethylidene-2-methylcyclohexane 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 (1E,2S)-1-ethylidene-2-methylcyclohexane is sourced from PubChem (CID 148695286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).