(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid

C22H40O5 — CID 175781756

IUPAC(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid
SMILESCC/C=C\CCCC(=O)O.CC/C=C\CCO.CCCCC=CCC(=O)O
InChIInChI=1S/2C8H14O2.C6H12O/c2*1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3,(H,9,10);3-4H,2,5-7H2,1H3,(H,9,10);3-4,7H,2,5-6H2,1H3/b;2*4-3-
InChIKeyJZIUTTFZVITVOW-KOYVTHSTSA-N
MW384.56 g/mol
LogP5.75
Rot. Bonds13

About (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid

(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid (PubChem CID 175781756) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid.

Molecular Properties

Compound Name(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid
PubChem CID175781756
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid
SMILESCC/C=C\CCCC(=O)O.CC/C=C\CCO.CCCCC=CCC(=O)O
InChIInChI=1S/2C8H14O2.C6H12O/c2*1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3,(H,9,10);3-4H,2,5-7H2,1H3,(H,9,10);3-4,7H,2,5-6H2,1H3/b;2*4-3-
InChIKeyJZIUTTFZVITVOW-KOYVTHSTSA-N
XLogP5.75
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

pentadeca-5,10-dienoic acid
CID 535083
8-hydroxyoct-5-enoic acid
CID 86081855
oct-3-enedioic acid
CID 162155605
(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
icosa-3,11,17-trienoic acid
CID 162425893
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
(11Z)-icosa-11,14,17-trienoic acid;(Z)-icos-5-enoic acid
CID 175476715
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 87318881
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(E)-nonadec-14-enoic acid
CID 101410255

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid?
The IUPAC name of (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid (CID 175781756) is (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid.
What is the SMILES notation for (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid?
The canonical SMILES for (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid is CC/C=C\CCCC(=O)O.CC/C=C\CCO.CCCCC=CCC(=O)O.
What is the InChIKey of (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid?
The InChIKey is JZIUTTFZVITVOW-KOYVTHSTSA-N. The full InChI is InChI=1S/2C8H14O2.C6H12O/c2*1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3,(H,9,10);3-4H,2,5-7H2,1H3,(H,9,10);3-4,7H,2,5-6H2,1H3/b;2*4-3-.
What are the key properties of (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid?
(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid has a molecular weight of 384.56 g/mol, XLogP of 5.75, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid is sourced from PubChem (CID 175781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).