(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol

C12H22O2 — CID 59083995

IUPAC(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
SMILESCOC1C/C(=C/CO)C(C)(C)C(C)C1
InChIInChI=1S/C12H22O2/c1-9-7-11(14-4)8-10(5-6-13)12(9,2)3/h5,9,11,13H,6-8H2,1-4H3/b10-5-
InChIKeyLYTNBHGQLBSENX-YHYXMXQVSA-N
MW198.31 g/mol
LogP2.38
Rot. Bonds2

About (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol

(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol (PubChem CID 59083995) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol.

Molecular Properties

Compound Name(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
PubChem CID59083995
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
SMILESCOC1C/C(=C/CO)C(C)(C)C(C)C1
InChIInChI=1S/C12H22O2/c1-9-7-11(14-4)8-10(5-6-13)12(9,2)3/h5,9,11,13H,6-8H2,1-4H3/b10-5-
InChIKeyLYTNBHGQLBSENX-YHYXMXQVSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.38
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

2-(2-chloroethylidene)-4-methoxy-1,1,6-trimethylcyclohexane
CID 72511475
(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione
CID 10329827
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
CID 167610195
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
4,6-dimethoxy-8-methylidenespiro[2.5]octane
CID 20632853
2-(3-methoxycyclobutylidene)ethanamine
CID 106824175
ethane-1,2-diol;methoxycyclopropane
CID 174681664
1,3,5-trimethoxycyclohexane
CID 547415
3,3,4-trimethyl-2-oxocyclopentane-1-carbaldehyde
CID 130025531
(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine
CID 118460006
(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene
CID 10802875

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol?
The IUPAC name of (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol (CID 59083995) is (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol.
What is the SMILES notation for (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol?
The canonical SMILES for (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol is COC1C/C(=C/CO)C(C)(C)C(C)C1.
What is the InChIKey of (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol?
The InChIKey is LYTNBHGQLBSENX-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-7-11(14-4)8-10(5-6-13)12(9,2)3/h5,9,11,13H,6-8H2,1-4H3/b10-5-.
What are the key properties of (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol?
(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol has a molecular weight of 198.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol is sourced from PubChem (CID 59083995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).