1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol

C19H34O3 — CID 15528266

IUPAC1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol
SMILESC=C(CC1(O)C(C)CCCC1C)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C19H34O3/c1-7-19(21-12-17(5,6)13-22-19)16(4)11-18(20)14(2)9-8-10-15(18)3/h14-15,20H,4,7-13H2,1-3,5-6H3
InChIKeyYUPIKCNSHYDZJS-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.30
Rot. Bonds4

About 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol

1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol (PubChem CID 15528266) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol
PubChem CID15528266
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol
SMILESC=C(CC1(O)C(C)CCCC1C)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C19H34O3/c1-7-19(21-12-17(5,6)13-22-19)16(4)11-18(20)14(2)9-8-10-15(18)3/h14-15,20H,4,7-13H2,1-3,5-6H3
InChIKeyYUPIKCNSHYDZJS-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.30
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-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol (CID 15528266) is 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol is C=C(CC1(O)C(C)CCCC1C)C1(CC)OCC(C)(C)CO1.
What is the InChIKey of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol?
The InChIKey is YUPIKCNSHYDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-7-19(21-12-17(5,6)13-22-19)16(4)11-18(20)14(2)9-8-10-15(18)3/h14-15,20H,4,7-13H2,1-3,5-6H3.
What are the key properties of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol?
1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol has a molecular weight of 310.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 15528266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).