(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol

C11H20O2 — CID 162403879

IUPAC(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol
SMILESCOCC1=CC[C@H]([C@@H](C)CO)CC1
InChIInChI=1S/C11H20O2/c1-9(7-12)11-5-3-10(4-6-11)8-13-2/h3,9,11-12H,4-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyLNCPUNGADSUNMA-ONGXEEELSA-N
MW184.28 g/mol
LogP1.99
Rot. Bonds4

About (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol

(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol (PubChem CID 162403879) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol
PubChem CID162403879
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol
SMILESCOCC1=CC[C@H]([C@@H](C)CO)CC1
InChIInChI=1S/C11H20O2/c1-9(7-12)11-5-3-10(4-6-11)8-13-2/h3,9,11-12H,4-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyLNCPUNGADSUNMA-ONGXEEELSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perillyl Alcohol
CID 10819
Perilla alcohol
CID 369312
(+)-Perillyl alcohol
CID 11788398
p-MENTH-1-EN-9-OL
CID 86753
Isocyclogeraniol
CID 109458
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
(-)-Oleuropeyl alcohol
CID 44566704
2-Naphthalenemethanol, 3,4,4a,7,8,8a-hexahydro-5-methyl-8-(1-methylethyl)-, (4aS,8S,8aR)-
CID 14845385
Bisabolenol
CID 91747530
(+)-p-Menta-1-en-9-ol
CID 12571838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol (CID 162403879) is (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol is COCC1=CC[C@H]([C@@H](C)CO)CC1.
What is the InChIKey of (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol?
The InChIKey is LNCPUNGADSUNMA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(7-12)11-5-3-10(4-6-11)8-13-2/h3,9,11-12H,4-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol?
(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol is sourced from PubChem (CID 162403879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).