3-methylnonan-4-ol;nonan-4-ol

C19H42O2 — CID 18968461

IUPAC3-methylnonan-4-ol;nonan-4-ol
SMILESCCCCCC(O)C(C)CC.CCCCCC(O)CCC
InChIInChI=1S/C10H22O.C9H20O/c1-4-6-7-8-10(11)9(3)5-2;1-3-5-6-8-9(10)7-4-2/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyICKGQAYSMWNWGP-UHFFFAOYSA-N
MW302.54 g/mol
LogP5.70
Rot. Bonds12

About 3-methylnonan-4-ol;nonan-4-ol

3-methylnonan-4-ol;nonan-4-ol (PubChem CID 18968461) has the molecular formula C19H42O2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 3-methylnonan-4-ol;nonan-4-ol.

Molecular Properties

Compound Name3-methylnonan-4-ol;nonan-4-ol
PubChem CID18968461
Molecular FormulaC19H42O2
Molecular Weight302.54 g/mol
Exact Mass302.32
IUPAC Name3-methylnonan-4-ol;nonan-4-ol
SMILESCCCCCC(O)C(C)CC.CCCCCC(O)CCC
InChIInChI=1S/C10H22O.C9H20O/c1-4-6-7-8-10(11)9(3)5-2;1-3-5-6-8-9(10)7-4-2/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyICKGQAYSMWNWGP-UHFFFAOYSA-N
XLogP5.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.54
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
4-methyltetradecan-5-ol
CID 65149403
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
tetratetracontan-22-ol
CID 91434437
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 3-methylnonan-4-ol;nonan-4-ol?
The IUPAC name of 3-methylnonan-4-ol;nonan-4-ol (CID 18968461) is 3-methylnonan-4-ol;nonan-4-ol.
What is the SMILES notation for 3-methylnonan-4-ol;nonan-4-ol?
The canonical SMILES for 3-methylnonan-4-ol;nonan-4-ol is CCCCCC(O)C(C)CC.CCCCCC(O)CCC.
What is the InChIKey of 3-methylnonan-4-ol;nonan-4-ol?
The InChIKey is ICKGQAYSMWNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C9H20O/c1-4-6-7-8-10(11)9(3)5-2;1-3-5-6-8-9(10)7-4-2/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3.
What are the key properties of 3-methylnonan-4-ol;nonan-4-ol?
3-methylnonan-4-ol;nonan-4-ol has a molecular weight of 302.54 g/mol, XLogP of 5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnonan-4-ol;nonan-4-ol is sourced from PubChem (CID 18968461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).