(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol

C12H18O — CID 59055489

IUPAC(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol
SMILESCC[C@@H]1C[C@@H]1CC#C/C=C/C(C)O
InChIInChI=1S/C12H18O/c1-3-11-9-12(11)8-6-4-5-7-10(2)13/h5,7,10-13H,3,8-9H2,1-2H3/b7-5+/t10?,11-,12+/m1/s1
InChIKeyAYVMDTWQLYVYNT-IJELBXRRSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds3

About (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol

(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol (PubChem CID 59055489) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol
PubChem CID59055489
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol
SMILESCC[C@@H]1C[C@@H]1CC#C/C=C/C(C)O
InChIInChI=1S/C12H18O/c1-3-11-9-12(11)8-6-4-5-7-10(2)13/h5,7,10-13H,3,8-9H2,1-2H3/b7-5+/t10?,11-,12+/m1/s1
InChIKeyAYVMDTWQLYVYNT-IJELBXRRSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol
CID 20579787
1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
CID 67160266
(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol
CID 59125713
(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol
CID 102249532
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
(2S,3E,5Z)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2R,3E,5Z)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2S,3E,5Z)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2R,3E,5Z)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(Z,2S)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2R)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2S)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2R)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(2S,3E,11Z)-hexadeca-3,11-dien-5-yn-2-ol;(2S,5Z,11Z)-hexadeca-5,11-dien-3-yn-2-ol;(2S,3E,5Z,11Z)-hexadeca-3,5,11-trien-2-ol
CID 158258174
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589
2-(2,4-diethylcyclopentyl)acetonitrile
CID 167210010
1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
octa-3,5-dien-2-ol
CID 543636

Frequently Asked Questions

What is the IUPAC name of (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol?
The IUPAC name of (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol (CID 59055489) is (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol.
What is the SMILES notation for (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol?
The canonical SMILES for (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol is CC[C@@H]1C[C@@H]1CC#C/C=C/C(C)O.
What is the InChIKey of (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol?
The InChIKey is AYVMDTWQLYVYNT-IJELBXRRSA-N. The full InChI is InChI=1S/C12H18O/c1-3-11-9-12(11)8-6-4-5-7-10(2)13/h5,7,10-13H,3,8-9H2,1-2H3/b7-5+/t10?,11-,12+/m1/s1.
What are the key properties of (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol?
(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol is sourced from PubChem (CID 59055489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).