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

C15H26O3 — CID 162758393

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC(O)(CCC2OCCO2)CC(C(C)C)C1
InChIInChI=1S/C15H26O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h9,11,13-14,16H,4-8,10H2,1-3H3
InChIKeyFETDOKXOHDMRAH-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.88
Rot. Bonds4

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

1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 162758393) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
PubChem CID162758393
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC(O)(CCC2OCCO2)CC(C(C)C)C1
InChIInChI=1S/C15H26O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h9,11,13-14,16H,4-8,10H2,1-3H3
InChIKeyFETDOKXOHDMRAH-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.88
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-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol (CID 162758393) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol is CC1=CC(O)(CCC2OCCO2)CC(C(C)C)C1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is FETDOKXOHDMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)13-8-12(3)9-15(16,10-13)5-4-14-17-6-7-18-14/h9,11,13-14,16H,4-8,10H2,1-3H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.88, 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-dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 162758393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).