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

C17H30O3 — CID 15528265

IUPAC1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
SMILESC=C(CC1(O)CCCCC1)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C17H30O3/c1-5-17(19-12-15(3,4)13-20-17)14(2)11-16(18)9-7-6-8-10-16/h18H,2,5-13H2,1,3-4H3
InChIKeyJVABYGGLACVCNM-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.81
Rot. Bonds4

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

1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol (PubChem CID 15528265) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
PubChem CID15528265
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
SMILESC=C(CC1(O)CCCCC1)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C17H30O3/c1-5-17(19-12-15(3,4)13-20-17)14(2)11-16(18)9-7-6-8-10-16/h18H,2,5-13H2,1,3-4H3
InChIKeyJVABYGGLACVCNM-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 14738888
CID 14738888
CID 11243425
CID 11243425
CID 15528266
CID 15528266
CID 15528268
CID 15528268
CID 15528269
CID 15528269
CID 15528270
CID 15528270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol (CID 15528265) is 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol is C=C(CC1(O)CCCCC1)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]cyclohexan-1-ol?
The InChIKey is JVABYGGLACVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-17(19-12-15(3,4)13-20-17)14(2)11-16(18)9-7-6-8-10-16/h18H,2,5-13H2,1,3-4H3.
What are the key properties of 1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
1-[2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.81, 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]cyclohexan-1-ol is sourced from PubChem (CID 15528265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).