ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol

C15H30O — CID 155737332

IUPACethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
SMILESC=C(CO)CCC1CCC(C)C1(C)C.CC
InChIInChI=1S/C13H24O.C2H6/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-2/h11-12,14H,1,5-9H2,2-4H3;1-2H3
InChIKeyHNQPZPMYYKDFFK-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.41
Rot. Bonds4

About ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol

ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol (PubChem CID 155737332) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol.

Molecular Properties

Compound Nameethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
PubChem CID155737332
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Nameethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
SMILESC=C(CO)CCC1CCC(C)C1(C)C.CC
InChIInChI=1S/C13H24O.C2H6/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-2/h11-12,14H,1,5-9H2,2-4H3;1-2H3
InChIKeyHNQPZPMYYKDFFK-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
CID 141208854
ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
CID 155738188
(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
CID 11095605
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane
CID 140575745
2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
CID 164818451
methyl 4-(2,2,3-trimethylcyclopentyl)butanoate
CID 102502301
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
CID 141216696
(5R)-1,1,2-trimethyl-5-[(3S)-3-methylpentyl]cyclopentane
CID 145389253
2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol
CID 139577549
4-methyl-6-[(1S)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 129088404

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol?
The IUPAC name of ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol (CID 155737332) is ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol.
What is the SMILES notation for ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol?
The canonical SMILES for ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol is C=C(CO)CCC1CCC(C)C1(C)C.CC.
What is the InChIKey of ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol?
The InChIKey is HNQPZPMYYKDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C2H6/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-2/h11-12,14H,1,5-9H2,2-4H3;1-2H3.
What are the key properties of ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol?
ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol is sourced from PubChem (CID 155737332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).