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

C14H24O — CID 3024253

IUPAC2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane
SMILESCC1=CCC(C(C)CC2CCCO2)CC1
InChIInChI=1S/C14H24O/c1-11-5-7-13(8-6-11)12(2)10-14-4-3-9-15-14/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyODEPOTOWUZWOLA-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds3

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

2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane (PubChem CID 3024253) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane.

Molecular Properties

Compound Name2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane
PubChem CID3024253
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane
SMILESCC1=CCC(C(C)CC2CCCO2)CC1
InChIInChI=1S/C14H24O/c1-11-5-7-13(8-6-11)12(2)10-14-4-3-9-15-14/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyODEPOTOWUZWOLA-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
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

2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
1,5-Cyclododecadiene, 9-methoxy-1,6,10-trimethyl-
CID 102054965
2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
4,7,7-Trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 72746984
3,9-Epoxy-1-p-menthene
CID 131752931
cis-3-Ethoxy-p-menth-1-ene
CID 85842332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane?
The IUPAC name of 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane (CID 3024253) is 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane.
What is the SMILES notation for 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane?
The canonical SMILES for 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane is CC1=CCC(C(C)CC2CCCO2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane?
The InChIKey is ODEPOTOWUZWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11-5-7-13(8-6-11)12(2)10-14-4-3-9-15-14/h5,12-14H,3-4,6-10H2,1-2H3.
What are the key properties of 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane?
2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane has a molecular weight of 208.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolane is sourced from PubChem (CID 3024253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).