3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol

C11H20O2 — CID 10465007

IUPAC3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol
SMILESCO/C=C1\CCCCC1CCCO
InChIInChI=1S/C11H20O2/c1-13-9-11-6-3-2-5-10(11)7-4-8-12/h9-10,12H,2-8H2,1H3/b11-9+
InChIKeyGTRNGYSQEUWNAS-PKNBQFBNSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds4

About 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol

3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol (PubChem CID 10465007) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol
PubChem CID10465007
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol
SMILESCO/C=C1\CCCCC1CCCO
InChIInChI=1S/C11H20O2/c1-13-9-11-6-3-2-5-10(11)7-4-8-12/h9-10,12H,2-8H2,1H3/b11-9+
InChIKeyGTRNGYSQEUWNAS-PKNBQFBNSA-N
XLogP2.48
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 ≤ 52.48
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

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627
p-Menth-1(7)-en-9-ol
CID 564610
4-Methylenecyclohexylmethanol
CID 13860
2-Cyclohexyl-2-propen-1-ol
CID 549046
Cyclohexanemethanol, alpha-(2-methylallyl)-
CID 565338
4,8-Dimethylnon-8-en-1-ol
CID 21641193
4-(2-Methylprop-2-enyl)cyclohexan-1-ol
CID 57052055
5-Ethyl-3-methylhex-5-enol
CID 129630321
Cyclohexaneethanol, 2-methylene-
CID 556471

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol?
The IUPAC name of 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol (CID 10465007) is 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol is CO/C=C1\CCCCC1CCCO.
What is the InChIKey of 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol?
The InChIKey is GTRNGYSQEUWNAS-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H20O2/c1-13-9-11-6-3-2-5-10(11)7-4-8-12/h9-10,12H,2-8H2,1H3/b11-9+.
What are the key properties of 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol?
3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol is sourced from PubChem (CID 10465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).