3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol

C15H26O2 — CID 70459341

IUPAC3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol
SMILESCC1=CCC(C2(CCCO)CCC(C)O2)CC1
InChIInChI=1S/C15H26O2/c1-12-4-6-14(7-5-12)15(9-3-11-16)10-8-13(2)17-15/h4,13-14,16H,3,5-11H2,1-2H3
InChIKeyKOWVNFSXLUTCLD-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds4

About 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol

3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol (PubChem CID 70459341) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol
PubChem CID70459341
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol
SMILESCC1=CCC(C2(CCCO)CCC(C)O2)CC1
InChIInChI=1S/C15H26O2/c1-12-4-6-14(7-5-12)15(9-3-11-16)10-8-13(2)17-15/h4,13-14,16H,3,5-11H2,1-2H3
InChIKeyKOWVNFSXLUTCLD-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol (CID 70459341) is 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol is CC1=CCC(C2(CCCO)CCC(C)O2)CC1.
What is the InChIKey of 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol?
The InChIKey is KOWVNFSXLUTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-4-6-14(7-5-12)15(9-3-11-16)10-8-13(2)17-15/h4,13-14,16H,3,5-11H2,1-2H3.
What are the key properties of 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol?
3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 70459341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).