2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol

C9H16O — CID 11815455

IUPAC2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
SMILESC=CCC[C@H]1C[C@H]1CCO
InChIInChI=1S/C9H16O/c1-2-3-4-8-7-9(8)5-6-10/h2,8-10H,1,3-7H2/t8-,9+/m0/s1
InChIKeyODZZICDBJLJBLI-DTWKUNHWSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds5

About 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol

2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol (PubChem CID 11815455) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
PubChem CID11815455
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
SMILESC=CCC[C@H]1C[C@H]1CCO
InChIInChI=1S/C9H16O/c1-2-3-4-8-7-9(8)5-6-10/h2,8-10H,1,3-7H2/t8-,9+/m0/s1
InChIKeyODZZICDBJLJBLI-DTWKUNHWSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
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

2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
CID 59055603
4-but-3-enyl-3-methylcyclohexan-1-ol
CID 22909858
2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
CID 89228344
1-decyl-2-hexylcyclopropane;dodec-1-ene;hexadecane
CID 91501691
but-3-en-1-ol;silane
CID 174710612
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
1-(2-but-3-enylcyclopentyl)-N-methylmethanamine
CID 81034275
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
4-but-3-enylcyclohexan-1-amine
CID 142229592
sodium;but-3-en-1-ol;hydride
CID 174719957
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol?
The IUPAC name of 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol (CID 11815455) is 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol.
What is the SMILES notation for 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol?
The canonical SMILES for 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol is C=CCC[C@H]1C[C@H]1CCO.
What is the InChIKey of 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol?
The InChIKey is ODZZICDBJLJBLI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-8-7-9(8)5-6-10/h2,8-10H,1,3-7H2/t8-,9+/m0/s1.
What are the key properties of 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol?
2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol is sourced from PubChem (CID 11815455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).