3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol

C12H22O — CID 11332854

IUPAC3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol
SMILESC=CC[C@@H]1C[C@@H](CC)[C@@H]1CCCO
InChIInChI=1S/C12H22O/c1-3-6-11-9-10(4-2)12(11)7-5-8-13/h3,10-13H,1,4-9H2,2H3/t10-,11-,12+/m1/s1
InChIKeyJOMUBLPTASOFFO-UTUOFQBUSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds6

About 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol

3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol (PubChem CID 11332854) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol
PubChem CID11332854
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol
SMILESC=CC[C@@H]1C[C@@H](CC)[C@@H]1CCCO
InChIInChI=1S/C12H22O/c1-3-6-11-9-10(4-2)12(11)7-5-8-13/h3,10-13H,1,4-9H2,2H3/t10-,11-,12+/m1/s1
InChIKeyJOMUBLPTASOFFO-UTUOFQBUSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
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

3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol
CID 123364652
(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane
CID 101233333
(2-ethyl-4-methylcyclobutyl)methanol
CID 123868868
2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
CID 11815455
ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate
CID 11043727
1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane
CID 90909412
cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596
3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol
CID 89074143
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 140677444
[6-(3-hydroxypropyl)-5-methyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 89234306

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol?
The IUPAC name of 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol (CID 11332854) is 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol.
What is the SMILES notation for 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol?
The canonical SMILES for 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol is C=CC[C@@H]1C[C@@H](CC)[C@@H]1CCCO.
What is the InChIKey of 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol?
The InChIKey is JOMUBLPTASOFFO-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H22O/c1-3-6-11-9-10(4-2)12(11)7-5-8-13/h3,10-13H,1,4-9H2,2H3/t10-,11-,12+/m1/s1.
What are the key properties of 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol?
3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol is sourced from PubChem (CID 11332854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).