hexan-1-ol;nonane

C15H34O — CID 175106830

IUPAChexan-1-ol;nonane
SMILESCCCCCCCCC.CCCCCCO
InChIInChI=1S/C9H20.C6H14O/c1-3-5-7-9-8-6-4-2;1-2-3-4-5-6-7/h3-9H2,1-2H3;7H,2-6H2,1H3
InChIKeyILFPHYFLOYQGJY-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.32
Rot. Bonds10

About hexan-1-ol;nonane

hexan-1-ol;nonane (PubChem CID 175106830) has the molecular formula C15H34O and a molecular weight of 230.44 g/mol. Its IUPAC name is hexan-1-ol;nonane.

Molecular Properties

Compound Namehexan-1-ol;nonane
PubChem CID175106830
Molecular FormulaC15H34O
Molecular Weight230.44 g/mol
Exact Mass230.26
IUPAC Namehexan-1-ol;nonane
SMILESCCCCCCCCC.CCCCCCO
InChIInChI=1S/C9H20.C6H14O/c1-3-5-7-9-8-6-4-2;1-2-3-4-5-6-7/h3-9H2,1-2H3;7H,2-6H2,1H3
InChIKeyILFPHYFLOYQGJY-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;nonane?
The IUPAC name of hexan-1-ol;nonane (CID 175106830) is hexan-1-ol;nonane.
What is the SMILES notation for hexan-1-ol;nonane?
The canonical SMILES for hexan-1-ol;nonane is CCCCCCCCC.CCCCCCO.
What is the InChIKey of hexan-1-ol;nonane?
The InChIKey is ILFPHYFLOYQGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C6H14O/c1-3-5-7-9-8-6-4-2;1-2-3-4-5-6-7/h3-9H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of hexan-1-ol;nonane?
hexan-1-ol;nonane has a molecular weight of 230.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;nonane is sourced from PubChem (CID 175106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).