4-methylheptan-1-ol;nonan-3-ol

C17H38O2 — CID 135150427

IUPAC4-methylheptan-1-ol;nonan-3-ol
SMILESCCCC(C)CCCO.CCCCCCC(O)CC
InChIInChI=1S/C9H20O.C8H18O/c1-3-5-6-7-8-9(10)4-2;1-3-5-8(2)6-4-7-9/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyPTBOJQIHSKQYAA-UHFFFAOYSA-N
MW274.49 g/mol
LogP4.92
Rot. Bonds11

About 4-methylheptan-1-ol;nonan-3-ol

4-methylheptan-1-ol;nonan-3-ol (PubChem CID 135150427) has the molecular formula C17H38O2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 4-methylheptan-1-ol;nonan-3-ol.

Molecular Properties

Compound Name4-methylheptan-1-ol;nonan-3-ol
PubChem CID135150427
Molecular FormulaC17H38O2
Molecular Weight274.49 g/mol
Exact Mass274.29
IUPAC Name4-methylheptan-1-ol;nonan-3-ol
SMILESCCCC(C)CCCO.CCCCCCC(O)CC
InChIInChI=1S/C9H20O.C8H18O/c1-3-5-6-7-8-9(10)4-2;1-3-5-8(2)6-4-7-9/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyPTBOJQIHSKQYAA-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 54.92
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

10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
(4S)-undecane-1,4-diol
CID 98092447
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
icosan-3-ol
CID 14940768
11-methylnonadecan-7-ol
CID 87923390
icosane-3,10-diol
CID 141217833
icosane-1,18-diol
CID 87114916
decane-1,8-diol
CID 160857478
(5S)-5-methyloctan-1-ol
CID 14902476

Frequently Asked Questions

What is the IUPAC name of 4-methylheptan-1-ol;nonan-3-ol?
The IUPAC name of 4-methylheptan-1-ol;nonan-3-ol (CID 135150427) is 4-methylheptan-1-ol;nonan-3-ol.
What is the SMILES notation for 4-methylheptan-1-ol;nonan-3-ol?
The canonical SMILES for 4-methylheptan-1-ol;nonan-3-ol is CCCC(C)CCCO.CCCCCCC(O)CC.
What is the InChIKey of 4-methylheptan-1-ol;nonan-3-ol?
The InChIKey is PTBOJQIHSKQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C8H18O/c1-3-5-6-7-8-9(10)4-2;1-3-5-8(2)6-4-7-9/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of 4-methylheptan-1-ol;nonan-3-ol?
4-methylheptan-1-ol;nonan-3-ol has a molecular weight of 274.49 g/mol, XLogP of 4.92, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptan-1-ol;nonan-3-ol is sourced from PubChem (CID 135150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).