[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol

C17H32O3 — CID 155417438

IUPAC[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol
SMILESCOC1CCC(CO)C(C(C)CCC=C(C)C)C1OC
InChIInChI=1S/C17H32O3/c1-12(2)7-6-8-13(3)16-14(11-18)9-10-15(19-4)17(16)20-5/h7,13-18H,6,8-11H2,1-5H3
InChIKeyYYLNBSOYJDOXEB-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.42
Rot. Bonds7

About [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol

[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol (PubChem CID 155417438) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol
PubChem CID155417438
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol
SMILESCOC1CCC(CO)C(C(C)CCC=C(C)C)C1OC
InChIInChI=1S/C17H32O3/c1-12(2)7-6-8-13(3)16-14(11-18)9-10-15(19-4)17(16)20-5/h7,13-18H,6,8-11H2,1-5H3
InChIKeyYYLNBSOYJDOXEB-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.42
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 [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol?
The IUPAC name of [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol (CID 155417438) is [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol?
The canonical SMILES for [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol is COC1CCC(CO)C(C(C)CCC=C(C)C)C1OC.
What is the InChIKey of [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol?
The InChIKey is YYLNBSOYJDOXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-12(2)7-6-8-13(3)16-14(11-18)9-10-15(19-4)17(16)20-5/h7,13-18H,6,8-11H2,1-5H3.
What are the key properties of [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol?
[3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol has a molecular weight of 284.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 155417438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).