1-(1-butylcyclobutyl)prop-2-en-1-ol

C11H20O — CID 142645457

IUPAC1-(1-butylcyclobutyl)prop-2-en-1-ol
SMILESC=CC(O)C1(CCCC)CCC1
InChIInChI=1S/C11H20O/c1-3-5-7-11(8-6-9-11)10(12)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyQYEOAKPWAPTGEU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds5

About 1-(1-butylcyclobutyl)prop-2-en-1-ol

1-(1-butylcyclobutyl)prop-2-en-1-ol (PubChem CID 142645457) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(1-butylcyclobutyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-butylcyclobutyl)prop-2-en-1-ol
PubChem CID142645457
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(1-butylcyclobutyl)prop-2-en-1-ol
SMILESC=CC(O)C1(CCCC)CCC1
InChIInChI=1S/C11H20O/c1-3-5-7-11(8-6-9-11)10(12)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyQYEOAKPWAPTGEU-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
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

1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 54306538
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 20565049
1-(4,4,7,7-tetramethyl-2-pentyl-1,3,5,6-tetrahydroinden-2-yl)prop-2-en-1-ol
CID 141032375
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium
CID 137351141
1-(1-methylcyclopentyl)prop-2-en-1-ol
CID 115814911
1-(1-hexylcyclopropyl)ethanol
CID 106798180
1-butyl-1-ethenylcyclohexane
CID 158478687
(2R,3R,4R)-3-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentan-1-one
CID 22812175
[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
CID 129404613
(1-butylcyclobutyl)methanol
CID 12786214
ethenol;hexane
CID 22706833

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylcyclobutyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-butylcyclobutyl)prop-2-en-1-ol (CID 142645457) is 1-(1-butylcyclobutyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-butylcyclobutyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-butylcyclobutyl)prop-2-en-1-ol is C=CC(O)C1(CCCC)CCC1.
What is the InChIKey of 1-(1-butylcyclobutyl)prop-2-en-1-ol?
The InChIKey is QYEOAKPWAPTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-7-11(8-6-9-11)10(12)4-2/h4,10,12H,2-3,5-9H2,1H3.
What are the key properties of 1-(1-butylcyclobutyl)prop-2-en-1-ol?
1-(1-butylcyclobutyl)prop-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclobutyl)prop-2-en-1-ol is sourced from PubChem (CID 142645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).