1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol

C13H22O — CID 143539259

IUPAC1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol
SMILESC=C1CC(CC)(C(=C)O)C(C)(C)C1C
InChIInChI=1S/C13H22O/c1-7-13(11(4)14)8-9(2)10(3)12(13,5)6/h10,14H,2,4,7-8H2,1,3,5-6H3
InChIKeyZPKLCKJWVNEMGX-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.08
Rot. Bonds2

About 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol

1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol (PubChem CID 143539259) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol.

Molecular Properties

Compound Name1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol
PubChem CID143539259
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol
SMILESC=C1CC(CC)(C(=C)O)C(C)(C)C1C
InChIInChI=1S/C13H22O/c1-7-13(11(4)14)8-9(2)10(3)12(13,5)6/h10,14H,2,4,7-8H2,1,3,5-6H3
InChIKeyZPKLCKJWVNEMGX-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
CID 157314245
4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
CID 143547151
(1R)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 54380301
trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 59110765
1-ethyl-3-[1-(2-ethyl-1-methylcyclobutyl)-2-methylprop-2-enylidene]-1,2-dimethylcyclobutane
CID 123299083
1,4-diethyl-2-methyl-3-methylidenebicyclo[2.1.0]pentane
CID 123510406
1-ethyl-1,2-dimethyl-4-propan-2-ylidenecyclobutane
CID 91173457
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-5-methylidene-2-oxabicyclo[2.2.1]heptane
CID 59638521
(1S,4S,7S)-1-ethyl-5-methylidene-2-oxabicyclo[2.2.1]heptan-7-ol
CID 59483007
(1S,2S,4aR,8R,8aS)-2,8-dimethyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol
CID 91895386
1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
CID 21319578

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol?
The IUPAC name of 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol (CID 143539259) is 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol.
What is the SMILES notation for 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol?
The canonical SMILES for 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol is C=C1CC(CC)(C(=C)O)C(C)(C)C1C.
What is the InChIKey of 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol?
The InChIKey is ZPKLCKJWVNEMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-7-13(11(4)14)8-9(2)10(3)12(13,5)6/h10,14H,2,4,7-8H2,1,3,5-6H3.
What are the key properties of 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol?
1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol has a molecular weight of 194.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol is sourced from PubChem (CID 143539259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).