(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol

C21H34O — CID 59125713

IUPAC(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol
SMILESCCCC/C=C\C[C@H]1C[C@@H]1CC#C/C=C/[C@H](O)CCCCC
InChIInChI=1S/C21H34O/c1-3-5-7-8-11-14-19-18-20(19)15-12-9-13-17-21(22)16-10-6-4-2/h8,11,13,17,19-22H,3-7,10,14-16,18H2,1-2H3/b11-8-,17-13+/t19-,20-,21+/m0/s1
InChIKeyKRDIFHMEFKKWCO-SUNWSWCMSA-N
MW302.50 g/mol
LogP5.65
Rot. Bonds11

About (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol

(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol (PubChem CID 59125713) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol.

Molecular Properties

Compound Name(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol
PubChem CID59125713
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol
SMILESCCCC/C=C\C[C@H]1C[C@@H]1CC#C/C=C/[C@H](O)CCCCC
InChIInChI=1S/C21H34O/c1-3-5-7-8-11-14-19-18-20(19)15-12-9-13-17-21(22)16-10-6-4-2/h8,11,13,17,19-22H,3-7,10,14-16,18H2,1-2H3/b11-8-,17-13+/t19-,20-,21+/m0/s1
InChIKeyKRDIFHMEFKKWCO-SUNWSWCMSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.65
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'}

Analyze (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-7-[2-[(E)-hept-2-enyl]cyclopropyl]hept-3-en-5-yn-2-ol
CID 20579787
icosa-7,15-diene-6,9-diol
CID 57175111
(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
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
1-[2-(7-hydroxyhept-2-enyl)-3,5-dimethoxycyclopentyl]oct-1-en-3-ol
CID 91151253
henicos-7-en-6-ol
CID 91409967
(6S,7E,9Z)-12-[(1R,2R)-2-pentylcyclopropyl]dodeca-7,9-dien-6-ol
CID 59125700
(6R,7E,9Z)-12-[(1S,2R)-2-pentylcyclopropyl]dodeca-7,9-dien-6-ol
CID 59125701
dodec-5-en-7-yn-4-ol
CID 71331023
methyl 7-[(1R,2S)-3-hydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoate
CID 70464286
(Z)-dec-3-en-1-yn-5-ol
CID 146163105
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415

Frequently Asked Questions

What is the IUPAC name of (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol?
The IUPAC name of (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol (CID 59125713) is (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol.
What is the SMILES notation for (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol?
The canonical SMILES for (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol is CCCC/C=C\C[C@H]1C[C@@H]1CC#C/C=C/[C@H](O)CCCCC.
What is the InChIKey of (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol?
The InChIKey is KRDIFHMEFKKWCO-SUNWSWCMSA-N. The full InChI is InChI=1S/C21H34O/c1-3-5-7-8-11-14-19-18-20(19)15-12-9-13-17-21(22)16-10-6-4-2/h8,11,13,17,19-22H,3-7,10,14-16,18H2,1-2H3/b11-8-,17-13+/t19-,20-,21+/m0/s1.
What are the key properties of (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol?
(E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol has a molecular weight of 302.50 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-1-[(1R,2R)-2-[(Z)-hept-2-enyl]cyclopropyl]undec-4-en-2-yn-6-ol is sourced from PubChem (CID 59125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).