(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol

C11H20O — CID 58281620

IUPAC(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol
SMILESCCCC/C=C/[C@@H]1C[C@H]1[C@@H](C)O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-10-8-11(10)9(2)12/h6-7,9-12H,3-5,8H2,1-2H3/b7-6+/t9-,10-,11+/m1/s1
InChIKeyQMRWPMDBLDNMNZ-ZPYDHZESSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds5

About (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol

(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol (PubChem CID 58281620) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol
PubChem CID58281620
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol
SMILESCCCC/C=C/[C@@H]1C[C@H]1[C@@H](C)O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-10-8-11(10)9(2)12/h6-7,9-12H,3-5,8H2,1-2H3/b7-6+/t9-,10-,11+/m1/s1
InChIKeyQMRWPMDBLDNMNZ-ZPYDHZESSA-N
XLogP2.75
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 ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol (CID 58281620) is (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol is CCCC/C=C/[C@@H]1C[C@H]1[C@@H](C)O.
What is the InChIKey of (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol?
The InChIKey is QMRWPMDBLDNMNZ-ZPYDHZESSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-10-8-11(10)9(2)12/h6-7,9-12H,3-5,8H2,1-2H3/b7-6+/t9-,10-,11+/m1/s1.
What are the key properties of (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol?
(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol is sourced from PubChem (CID 58281620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).