decane-3,7-diol;decan-4-ol;nonan-4-ol

C29H64O4 — CID 159957701

IUPACdecane-3,7-diol;decan-4-ol;nonan-4-ol
SMILESCCCC(O)CCCC(O)CC.CCCCCC(O)CCC.CCCCCCC(O)CCC
InChIInChI=1S/C10H22O2.C10H22O.C9H20O/c1-3-6-10(12)8-5-7-9(11)4-2;1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-8-9(10)7-4-2/h9-12H,3-8H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyOCXRDETXGWCVSP-UHFFFAOYSA-N
MW476.83 g/mol
LogP7.93
Rot. Bonds20

About decane-3,7-diol;decan-4-ol;nonan-4-ol

decane-3,7-diol;decan-4-ol;nonan-4-ol (PubChem CID 159957701) has the molecular formula C29H64O4 and a molecular weight of 476.83 g/mol. Its IUPAC name is decane-3,7-diol;decan-4-ol;nonan-4-ol.

Molecular Properties

Compound Namedecane-3,7-diol;decan-4-ol;nonan-4-ol
PubChem CID159957701
Molecular FormulaC29H64O4
Molecular Weight476.83 g/mol
Exact Mass476.48
IUPAC Namedecane-3,7-diol;decan-4-ol;nonan-4-ol
SMILESCCCC(O)CCCC(O)CC.CCCCCC(O)CCC.CCCCCCC(O)CCC
InChIInChI=1S/C10H22O2.C10H22O.C9H20O/c1-3-6-10(12)8-5-7-9(11)4-2;1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-8-9(10)7-4-2/h9-12H,3-8H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyOCXRDETXGWCVSP-UHFFFAOYSA-N
XLogP7.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze decane-3,7-diol;decan-4-ol;nonan-4-ol 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

icosane-3,10-diol
CID 141217833
icosan-3-ol
CID 14940768
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
dodecan-3-ol;propane
CID 159624658
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of decane-3,7-diol;decan-4-ol;nonan-4-ol?
The IUPAC name of decane-3,7-diol;decan-4-ol;nonan-4-ol (CID 159957701) is decane-3,7-diol;decan-4-ol;nonan-4-ol.
What is the SMILES notation for decane-3,7-diol;decan-4-ol;nonan-4-ol?
The canonical SMILES for decane-3,7-diol;decan-4-ol;nonan-4-ol is CCCC(O)CCCC(O)CC.CCCCCC(O)CCC.CCCCCCC(O)CCC.
What is the InChIKey of decane-3,7-diol;decan-4-ol;nonan-4-ol?
The InChIKey is OCXRDETXGWCVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C10H22O.C9H20O/c1-3-6-10(12)8-5-7-9(11)4-2;1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-8-9(10)7-4-2/h9-12H,3-8H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of decane-3,7-diol;decan-4-ol;nonan-4-ol?
decane-3,7-diol;decan-4-ol;nonan-4-ol has a molecular weight of 476.83 g/mol, XLogP of 7.93, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-3,7-diol;decan-4-ol;nonan-4-ol is sourced from PubChem (CID 159957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).