4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene

C14H22O — CID 149160336

IUPAC4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene
SMILESCC1(OCC2CC=CCC2)CC=CCC1
InChIInChI=1S/C14H22O/c1-14(10-6-3-7-11-14)15-12-13-8-4-2-5-9-13/h2-4,6,13H,5,7-12H2,1H3
InChIKeyVAAKXZJKFJOATF-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds3

About 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene

4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene (PubChem CID 149160336) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene
PubChem CID149160336
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene
SMILESCC1(OCC2CC=CCC2)CC=CCC1
InChIInChI=1S/C14H22O/c1-14(10-6-3-7-11-14)15-12-13-8-4-2-5-9-13/h2-4,6,13H,5,7-12H2,1H3
InChIKeyVAAKXZJKFJOATF-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
cyclohex-3-en-1-ylmethoxy(trimethyl)silane
CID 11084547
cyclohex-3-en-1-ylmethyl nitrite
CID 131854414
2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol
CID 164648237
4-propylcyclohexene
CID 518777
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
CID 130871052
4-(cyclohex-3-en-1-ylmethyl)-4-isocyanatocyclohexene
CID 91386073
1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
CID 116521376
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane
CID 118214174

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene (CID 149160336) is 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene is CC1(OCC2CC=CCC2)CC=CCC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene?
The InChIKey is VAAKXZJKFJOATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(10-6-3-7-11-14)15-12-13-8-4-2-5-9-13/h2-4,6,13H,5,7-12H2,1H3.
What are the key properties of 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene?
4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene has a molecular weight of 206.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene is sourced from PubChem (CID 149160336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).