[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol

C17H30O3 — CID 18641674

IUPAC[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol
SMILESC[C@@H]1CCC=C(CO)C1CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C17H30O3/c1-13-6-5-7-14(10-18)15(13)8-9-17(4)19-11-16(2,3)12-20-17/h7,13,15,18H,5-6,8-12H2,1-4H3/t13-,15?/m1/s1
InChIKeySSHHSEAPGYFEIO-AFYYWNPRSA-N
MW282.42 g/mol
LogP3.52
Rot. Bonds4

About [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol

[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol (PubChem CID 18641674) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol
PubChem CID18641674
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol
SMILESC[C@@H]1CCC=C(CO)C1CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C17H30O3/c1-13-6-5-7-14(10-18)15(13)8-9-17(4)19-11-16(2,3)12-20-17/h7,13,15,18H,5-6,8-12H2,1-4H3/t13-,15?/m1/s1
InChIKeySSHHSEAPGYFEIO-AFYYWNPRSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol?
The IUPAC name of [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol (CID 18641674) is [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol.
What is the SMILES notation for [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol?
The canonical SMILES for [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol is C[C@@H]1CCC=C(CO)C1CCC1(C)OCC(C)(C)CO1.
What is the InChIKey of [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol?
The InChIKey is SSHHSEAPGYFEIO-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H30O3/c1-13-6-5-7-14(10-18)15(13)8-9-17(4)19-11-16(2,3)12-20-17/h7,13,15,18H,5-6,8-12H2,1-4H3/t13-,15?/m1/s1.
What are the key properties of [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol?
[(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol has a molecular weight of 282.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methanol is sourced from PubChem (CID 18641674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).