(1-butyl-2-methylidenecyclopentyl)methanol

C11H20O — CID 172596437

IUPAC(1-butyl-2-methylidenecyclopentyl)methanol
SMILESC=C1CCCC1(CO)CCCC
InChIInChI=1S/C11H20O/c1-3-4-7-11(9-12)8-5-6-10(11)2/h12H,2-9H2,1H3
InChIKeyBCQBFVUOPHJGEX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds4

About (1-butyl-2-methylidenecyclopentyl)methanol

(1-butyl-2-methylidenecyclopentyl)methanol (PubChem CID 172596437) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1-butyl-2-methylidenecyclopentyl)methanol.

Molecular Properties

Compound Name(1-butyl-2-methylidenecyclopentyl)methanol
PubChem CID172596437
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1-butyl-2-methylidenecyclopentyl)methanol
SMILESC=C1CCCC1(CO)CCCC
InChIInChI=1S/C11H20O/c1-3-4-7-11(9-12)8-5-6-10(11)2/h12H,2-9H2,1H3
InChIKeyBCQBFVUOPHJGEX-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentanepropanol, 2-methylene-
CID 556392
[1-(Prop-2-en-1-yl)cyclopentyl]methanol
CID 59913137
(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CID 162420337
2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethan-1-ol
CID 162420349
[1-(3-Methylbut-3-enyl)cyclohexyl]methanol
CID 177855868
3-Methylene-5,5-dimethyl-1-hexanol
CID 19956460
(4S)-2,3,3-trimethylnon-1-en-4-ol
CID 146265560
[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol
CID 162730768
gamma-Campholenal
CID 14593276
4,4,5-Trimethylhex-5-en-1-ol
CID 10103486
5,5-Dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol
CID 87088390

Frequently Asked Questions

What is the IUPAC name of (1-butyl-2-methylidenecyclopentyl)methanol?
The IUPAC name of (1-butyl-2-methylidenecyclopentyl)methanol (CID 172596437) is (1-butyl-2-methylidenecyclopentyl)methanol.
What is the SMILES notation for (1-butyl-2-methylidenecyclopentyl)methanol?
The canonical SMILES for (1-butyl-2-methylidenecyclopentyl)methanol is C=C1CCCC1(CO)CCCC.
What is the InChIKey of (1-butyl-2-methylidenecyclopentyl)methanol?
The InChIKey is BCQBFVUOPHJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-7-11(9-12)8-5-6-10(11)2/h12H,2-9H2,1H3.
What are the key properties of (1-butyl-2-methylidenecyclopentyl)methanol?
(1-butyl-2-methylidenecyclopentyl)methanol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2-methylidenecyclopentyl)methanol is sourced from PubChem (CID 172596437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).