hexan-1-ol;nonan-1-ol

C15H34O2 — CID 159104620

IUPAChexan-1-ol;nonan-1-ol
SMILESCCCCCCCCCO.CCCCCCO
InChIInChI=1S/C9H20O.C6H14O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h10H,2-9H2,1H3;7H,2-6H2,1H3
InChIKeyKDSJXKAQEWZLSF-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.29
Rot. Bonds11

About hexan-1-ol;nonan-1-ol

hexan-1-ol;nonan-1-ol (PubChem CID 159104620) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is hexan-1-ol;nonan-1-ol.

Molecular Properties

Compound Namehexan-1-ol;nonan-1-ol
PubChem CID159104620
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Namehexan-1-ol;nonan-1-ol
SMILESCCCCCCCCCO.CCCCCCO
InChIInChI=1S/C9H20O.C6H14O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h10H,2-9H2,1H3;7H,2-6H2,1H3
InChIKeyKDSJXKAQEWZLSF-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;nonan-1-ol?
The IUPAC name of hexan-1-ol;nonan-1-ol (CID 159104620) is hexan-1-ol;nonan-1-ol.
What is the SMILES notation for hexan-1-ol;nonan-1-ol?
The canonical SMILES for hexan-1-ol;nonan-1-ol is CCCCCCCCCO.CCCCCCO.
What is the InChIKey of hexan-1-ol;nonan-1-ol?
The InChIKey is KDSJXKAQEWZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C6H14O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h10H,2-9H2,1H3;7H,2-6H2,1H3.
What are the key properties of hexan-1-ol;nonan-1-ol?
hexan-1-ol;nonan-1-ol has a molecular weight of 246.43 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;nonan-1-ol is sourced from PubChem (CID 159104620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).