1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol

C11H20O3 — CID 23266484

IUPAC1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol
SMILESCOC1C=CC(C)(C)CC1(O)C(C)O
InChIInChI=1S/C11H20O3/c1-8(12)11(13)7-10(2,3)6-5-9(11)14-4/h5-6,8-9,12-13H,7H2,1-4H3
InChIKeyJDJUEYOZSFFCEA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.10
Rot. Bonds2

About 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol

1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol (PubChem CID 23266484) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol
PubChem CID23266484
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol
SMILESCOC1C=CC(C)(C)CC1(O)C(C)O
InChIInChI=1S/C11H20O3/c1-8(12)11(13)7-10(2,3)6-5-9(11)14-4/h5-6,8-9,12-13H,7H2,1-4H3
InChIKeyJDJUEYOZSFFCEA-UHFFFAOYSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-methoxycyclohexa-2,4-dien-1-ol
CID 174471508
(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
CID 11622337
(1R)-1,4,4-trimethylcyclopent-2-en-1-ol
CID 101438064
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
2-methoxy-1,1,3,3-tetramethylcyclobutane
CID 163267922
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
dipropan-2-yl 1,4-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141186903
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol
CID 10261326
2-(1-hydroxyethyl)-7-methoxy-6-methyloxepane-3,4,6-triol
CID 123838788
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol?
The IUPAC name of 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol (CID 23266484) is 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol?
The canonical SMILES for 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol is COC1C=CC(C)(C)CC1(O)C(C)O.
What is the InChIKey of 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol?
The InChIKey is JDJUEYOZSFFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(12)11(13)7-10(2,3)6-5-9(11)14-4/h5-6,8-9,12-13H,7H2,1-4H3.
What are the key properties of 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol?
1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-2-methoxy-5,5-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 23266484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).