3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane

C14H24O — CID 3024244

IUPAC3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane
SMILESCC(C)C1CC=C(CC2CCOC2)CC1
InChIInChI=1S/C14H24O/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3,11,13-14H,4-10H2,1-2H3
InChIKeyYRNDMIZMABKVBZ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.80
Rot. Bonds3

About 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane

3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane (PubChem CID 3024244) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane.

Molecular Properties

Compound Name3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane
PubChem CID3024244
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane
SMILESCC(C)C1CC=C(CC2CCOC2)CC1
InChIInChI=1S/C14H24O/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3,11,13-14H,4-10H2,1-2H3
InChIKeyYRNDMIZMABKVBZ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane?
The IUPAC name of 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane (CID 3024244) is 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane.
What is the SMILES notation for 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane?
The canonical SMILES for 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane is CC(C)C1CC=C(CC2CCOC2)CC1.
What is the InChIKey of 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane?
The InChIKey is YRNDMIZMABKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3,11,13-14H,4-10H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane?
3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane has a molecular weight of 208.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane is sourced from PubChem (CID 3024244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).