(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol

C10H16O2 — CID 102305765

IUPAC(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
SMILESCO/C=C/C1=C[C@H](O)C[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-8-5-9(3-4-12-2)7-10(11)6-8/h3-4,7-8,10-11H,5-6H2,1-2H3/b4-3+/t8-,10-/m1/s1
InChIKeyIEOQJYPQHRLOAX-KHSHYHJCSA-N
MW168.24 g/mol
LogP1.86
Rot. Bonds2

About (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol

(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol (PubChem CID 102305765) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
PubChem CID102305765
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
SMILESCO/C=C/C1=C[C@H](O)C[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-8-5-9(3-4-12-2)7-10(11)6-8/h3-4,7-8,10-11H,5-6H2,1-2H3/b4-3+/t8-,10-/m1/s1
InChIKeyIEOQJYPQHRLOAX-KHSHYHJCSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(+)-trans-Carveol
CID 443178
(-)-trans-Isopiperitenol
CID 439410
All-trans-4-hydroxyretinol
CID 6080476
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
3-Hydroxy-beta-ionol
CID 14565843
Bisacurol
CID 14287403

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol (CID 102305765) is (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol is CO/C=C/C1=C[C@H](O)C[C@H](C)C1.
What is the InChIKey of (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol?
The InChIKey is IEOQJYPQHRLOAX-KHSHYHJCSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-9(3-4-12-2)7-10(11)6-8/h3-4,7-8,10-11H,5-6H2,1-2H3/b4-3+/t8-,10-/m1/s1.
What are the key properties of (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol?
(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 102305765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).