acetic acid;(Z)-tridec-3-en-1-ol

C15H30O3 — CID 175355445

IUPACacetic acid;(Z)-tridec-3-en-1-ol
SMILESCC(=O)O.CCCCCCCCC/C=C\CCO
InChIInChI=1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h10-11,14H,2-9,12-13H2,1H3;1H3,(H,3,4)/b11-10-;
InChIKeyCZCMWCUOGGTSOQ-GMFCBQQYSA-N
MW258.40 g/mol
LogP4.16
Rot. Bonds10

About acetic acid;(Z)-tridec-3-en-1-ol

acetic acid;(Z)-tridec-3-en-1-ol (PubChem CID 175355445) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is acetic acid;(Z)-tridec-3-en-1-ol.

Molecular Properties

Compound Nameacetic acid;(Z)-tridec-3-en-1-ol
PubChem CID175355445
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Nameacetic acid;(Z)-tridec-3-en-1-ol
SMILESCC(=O)O.CCCCCCCCC/C=C\CCO
InChIInChI=1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h10-11,14H,2-9,12-13H2,1H3;1H3,(H,3,4)/b11-10-;
InChIKeyCZCMWCUOGGTSOQ-GMFCBQQYSA-N
XLogP4.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
acetic acid;(E)-tetradec-7-ene
CID 174697247
(Z)-but-2-enedioic acid;non-3-en-1-ol
CID 175499444
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
acetic acid;(Z)-dec-3-ene
CID 174912778
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(Z)-but-2-enedioic acid;oct-3-en-1-ol
CID 175499439
formic acid;non-3-en-1-ol
CID 173228123
(3E,6E)-henicosa-3,6-dien-1-ol
CID 141187941

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-tridec-3-en-1-ol?
The IUPAC name of acetic acid;(Z)-tridec-3-en-1-ol (CID 175355445) is acetic acid;(Z)-tridec-3-en-1-ol.
What is the SMILES notation for acetic acid;(Z)-tridec-3-en-1-ol?
The canonical SMILES for acetic acid;(Z)-tridec-3-en-1-ol is CC(=O)O.CCCCCCCCC/C=C\CCO.
What is the InChIKey of acetic acid;(Z)-tridec-3-en-1-ol?
The InChIKey is CZCMWCUOGGTSOQ-GMFCBQQYSA-N. The full InChI is InChI=1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h10-11,14H,2-9,12-13H2,1H3;1H3,(H,3,4)/b11-10-;.
What are the key properties of acetic acid;(Z)-tridec-3-en-1-ol?
acetic acid;(Z)-tridec-3-en-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-tridec-3-en-1-ol is sourced from PubChem (CID 175355445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).