2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane

C12H20O — CID 12563988

IUPAC2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane
SMILESCC1=CCC(CC2CCCO2)CC1
InChIInChI=1S/C12H20O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4,11-12H,2-3,5-9H2,1H3
InChIKeyTYUJHJFKMAIWDK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds2

About 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane

2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane (PubChem CID 12563988) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane
PubChem CID12563988
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane
SMILESCC1=CCC(CC2CCCO2)CC1
InChIInChI=1S/C12H20O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4,11-12H,2-3,5-9H2,1H3
InChIKeyTYUJHJFKMAIWDK-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
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

2-(cyclopropylmethyl)oxolane
CID 57067840
2-[2-[5-[(4-methylcyclohex-3-en-1-yl)methyl]oxan-2-yl]ethyl]-5-[2-(4-methylcyclohexyl)ethyl]oxane
CID 146247380
(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone
CID 144801748
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(oxan-2-ylmethyl)oxane
CID 67860654
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
(2R)-2-ethyloxolane
CID 641529
4-(oxolan-2-ylmethyl)azepane
CID 126845756
[4-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270533
azane;2-ethyloxolane
CID 174465001
1,4-dimethyl(113C)cyclohexene
CID 11018826

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane?
The IUPAC name of 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane (CID 12563988) is 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane.
What is the SMILES notation for 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane?
The canonical SMILES for 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane is CC1=CCC(CC2CCCO2)CC1.
What is the InChIKey of 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane?
The InChIKey is TYUJHJFKMAIWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4,11-12H,2-3,5-9H2,1H3.
What are the key properties of 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane?
2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane has a molecular weight of 180.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohex-3-en-1-yl)methyl]oxolane is sourced from PubChem (CID 12563988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).