(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol

C16H32O4 — CID 5385867

IUPAC(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol
SMILESCCCCCC(O)/C(C)=C\C(OC)C(O)CCC(C)O
InChIInChI=1S/C16H32O4/c1-5-6-7-8-14(18)12(2)11-16(20-4)15(19)10-9-13(3)17/h11,13-19H,5-10H2,1-4H3/b12-11-
InChIKeyPAHCSKQOVSLRGB-QXMHVHEDSA-N
MW288.43 g/mol
LogP2.41
Rot. Bonds11

About (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol

(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol (PubChem CID 5385867) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol.

Molecular Properties

Compound Name(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol
PubChem CID5385867
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol
SMILESCCCCCC(O)/C(C)=C\C(OC)C(O)CCC(C)O
InChIInChI=1S/C16H32O4/c1-5-6-7-8-14(18)12(2)11-16(20-4)15(19)10-9-13(3)17/h11,13-19H,5-10H2,1-4H3/b12-11-
InChIKeyPAHCSKQOVSLRGB-QXMHVHEDSA-N
XLogP2.41
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecane-2,5,6-triol
CID 90443080
icosane-2,5,6-triol
CID 90443113
2-methyloct-1-ene-1,3-diol
CID 173308753
(2R)-heptan-2-ol
CID 6992611
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-octadecan-2-ol
CID 25022019
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609
docosan-2-ol
CID 14151025
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol?
The IUPAC name of (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol (CID 5385867) is (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol.
What is the SMILES notation for (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol?
The canonical SMILES for (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol is CCCCCC(O)/C(C)=C\C(OC)C(O)CCC(C)O.
What is the InChIKey of (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol?
The InChIKey is PAHCSKQOVSLRGB-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H32O4/c1-5-6-7-8-14(18)12(2)11-16(20-4)15(19)10-9-13(3)17/h11,13-19H,5-10H2,1-4H3/b12-11-.
What are the key properties of (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol?
(Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol has a molecular weight of 288.43 g/mol, XLogP of 2.41, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxy-8-methyltetradec-7-ene-2,5,9-triol is sourced from PubChem (CID 5385867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).