2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol

C13H24O — CID 59055603

IUPAC2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
SMILESCCCC/C=C\CC[C@H]1C[C@@H]1CCO
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-8-12-11-13(12)9-10-14/h5-6,12-14H,2-4,7-11H2,1H3/b6-5-/t12-,13-/m0/s1
InChIKeyQWCNQMILWGPXQQ-IBPBTGAJSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds8

About 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol

2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol (PubChem CID 59055603) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
PubChem CID59055603
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
SMILESCCCC/C=C\CC[C@H]1C[C@@H]1CCO
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-8-12-11-13(12)9-10-14/h5-6,12-14H,2-4,7-11H2,1H3/b6-5-/t12-,13-/m0/s1
InChIKeyQWCNQMILWGPXQQ-IBPBTGAJSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
CID 11815455
N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
CID 76600100
(E)-heptadec-12-en-1-ol
CID 87814318
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[(E)-oct-3-enyl]oxirane
CID 58906870
dec-5-ene;trihydrobromide
CID 175802238
2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol
CID 139967974
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol (CID 59055603) is 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol is CCCC/C=C\CC[C@H]1C[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol?
The InChIKey is QWCNQMILWGPXQQ-IBPBTGAJSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-12-11-13(12)9-10-14/h5-6,12-14H,2-4,7-11H2,1H3/b6-5-/t12-,13-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol?
2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol is sourced from PubChem (CID 59055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).