1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol

C15H24O3 — CID 166524342

IUPAC1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC(O)(CCC2OC=CO2)CC(C(C)C)C1
InChIInChI=1S/C15H24O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h6-7,9,11,13-14,16H,4-5,8,10H2,1-3H3
InChIKeyHUZDUCWCPFNNJU-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol

1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 166524342) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
PubChem CID166524342
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC(O)(CCC2OC=CO2)CC(C(C)C)C1
InChIInChI=1S/C15H24O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h6-7,9,11,13-14,16H,4-5,8,10H2,1-3H3
InChIKeyHUZDUCWCPFNNJU-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol (CID 166524342) is 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol is CC1=CC(O)(CCC2OC=CO2)CC(C(C)C)C1.
What is the InChIKey of 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is HUZDUCWCPFNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h6-7,9,11,13-14,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxol-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 166524342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).