(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol

C17H26O — CID 20579787

IUPAC(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol
SMILESCCCC/C=C/CC1CC1CC#C/C=C/C(C)O
InChIInChI=1S/C17H26O/c1-3-4-5-6-9-12-16-14-17(16)13-10-7-8-11-15(2)18/h6,8-9,11,15-18H,3-5,12-14H2,1-2H3/b9-6+,11-8+
InChIKeyURDHQXACTHRDLC-DNLSTQPZSA-N
MW246.39 g/mol
LogP4.09
Rot. Bonds7

About (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol

(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol (PubChem CID 20579787) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol
PubChem CID20579787
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol
SMILESCCCC/C=C/CC1CC1CC#C/C=C/C(C)O
InChIInChI=1S/C17H26O/c1-3-4-5-6-9-12-16-14-17(16)13-10-7-8-11-15(2)18/h6,8-9,11,15-18H,3-5,12-14H2,1-2H3/b9-6+,11-8+
InChIKeyURDHQXACTHRDLC-DNLSTQPZSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.09
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol
CID 59125713
(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
(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
CID 20579782
(Z,2R)-non-3-en-2-ol
CID 11040800
undec-3-en-2-ol
CID 174515693
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
CID 89201023
CID 89201023
(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol
CID 15736263
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
CID 59055603
methyl (Z)-8-[(1S,2R)-2-[(4R)-4-hydroxynon-2-ynyl]cyclopropyl]oct-5-enoate;methyl (Z)-8-[(1S,2R)-2-[(4S)-4-hydroxynon-2-ynyl]cyclopropyl]oct-5-enoate
CID 159110649
(E,2R)-non-4-en-2-ol
CID 131232400

Frequently Asked Questions

What is the IUPAC name of (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol?
The IUPAC name of (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol (CID 20579787) is (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol.
What is the SMILES notation for (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol?
The canonical SMILES for (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol is CCCC/C=C/CC1CC1CC#C/C=C/C(C)O.
What is the InChIKey of (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol?
The InChIKey is URDHQXACTHRDLC-DNLSTQPZSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-6-9-12-16-14-17(16)13-10-7-8-11-15(2)18/h6,8-9,11,15-18H,3-5,12-14H2,1-2H3/b9-6+,11-8+.
What are the key properties of (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol?
(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol has a molecular weight of 246.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol is sourced from PubChem (CID 20579787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).