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

C14H24O — CID 57084868

IUPAC2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane
SMILESCCCC1C=CC(CC2CCCO2)CC1
InChIInChI=1S/C14H24O/c1-2-4-12-6-8-13(9-7-12)11-14-5-3-10-15-14/h6,8,12-14H,2-5,7,9-11H2,1H3
InChIKeyMBCFMPXAWVWTGD-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds4

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

2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane (PubChem CID 57084868) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane
PubChem CID57084868
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane
SMILESCCCC1C=CC(CC2CCCO2)CC1
InChIInChI=1S/C14H24O/c1-2-4-12-6-8-13(9-7-12)11-14-5-3-10-15-14/h6,8,12-14H,2-5,7,9-11H2,1H3
InChIKeyMBCFMPXAWVWTGD-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
4,7,7-Trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 72746984
3,9-Epoxy-1-p-menthene
CID 131752931
CID 85778
CID 85778
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 2,6,10-trimethyl-
CID 6436440
Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan
CID 3024244
2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
CID 3024253
(4Z,8Z)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 20838674
(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane
CID 162965550
(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
CID 163046295

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane?
The IUPAC name of 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane (CID 57084868) is 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane.
What is the SMILES notation for 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane?
The canonical SMILES for 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane is CCCC1C=CC(CC2CCCO2)CC1.
What is the InChIKey of 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane?
The InChIKey is MBCFMPXAWVWTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-4-12-6-8-13(9-7-12)11-14-5-3-10-15-14/h6,8,12-14H,2-5,7,9-11H2,1H3.
What are the key properties of 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane?
2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane has a molecular weight of 208.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohex-2-en-1-yl)methyl]oxolane is sourced from PubChem (CID 57084868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).