acetic acid;hexadec-10-en-1-ol

C18H36O3 — CID 71444791

IUPACacetic acid;hexadec-10-en-1-ol
SMILESCC(=O)O.CCCCCC=CCCCCCCCCCO
InChIInChI=1S/C16H32O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h6-7,17H,2-5,8-16H2,1H3;1H3,(H,3,4)
InChIKeyBKWAKIYRJHHRFD-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.33
Rot. Bonds13

About acetic acid;hexadec-10-en-1-ol

acetic acid;hexadec-10-en-1-ol (PubChem CID 71444791) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is acetic acid;hexadec-10-en-1-ol.

Molecular Properties

Compound Nameacetic acid;hexadec-10-en-1-ol
PubChem CID71444791
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Nameacetic acid;hexadec-10-en-1-ol
SMILESCC(=O)O.CCCCCC=CCCCCCCCCCO
InChIInChI=1S/C16H32O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h6-7,17H,2-5,8-16H2,1H3;1H3,(H,3,4)
InChIKeyBKWAKIYRJHHRFD-UHFFFAOYSA-N
XLogP5.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.33
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;(Z)-tetradec-8-en-1-ol
CID 175504388
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
acetic acid;(E)-tetradec-7-ene
CID 174697247
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
(E)-docos-9-en-1-ol
CID 23502502
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of acetic acid;hexadec-10-en-1-ol?
The IUPAC name of acetic acid;hexadec-10-en-1-ol (CID 71444791) is acetic acid;hexadec-10-en-1-ol.
What is the SMILES notation for acetic acid;hexadec-10-en-1-ol?
The canonical SMILES for acetic acid;hexadec-10-en-1-ol is CC(=O)O.CCCCCC=CCCCCCCCCCO.
What is the InChIKey of acetic acid;hexadec-10-en-1-ol?
The InChIKey is BKWAKIYRJHHRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h6-7,17H,2-5,8-16H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;hexadec-10-en-1-ol?
acetic acid;hexadec-10-en-1-ol has a molecular weight of 300.48 g/mol, XLogP of 5.33, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hexadec-10-en-1-ol is sourced from PubChem (CID 71444791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).