heptan-1-ol;nonan-1-ol

C16H36O2 — CID 160785033

IUPACheptan-1-ol;nonan-1-ol
SMILESCCCCCCCCCO.CCCCCCCO
InChIInChI=1S/C9H20O.C7H16O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8/h10H,2-9H2,1H3;8H,2-7H2,1H3
InChIKeySBCBBOYJDDEGEH-UHFFFAOYSA-N
MW260.46 g/mol
LogP4.68
Rot. Bonds12

About heptan-1-ol;nonan-1-ol

heptan-1-ol;nonan-1-ol (PubChem CID 160785033) has the molecular formula C16H36O2 and a molecular weight of 260.46 g/mol. Its IUPAC name is heptan-1-ol;nonan-1-ol.

Molecular Properties

Compound Nameheptan-1-ol;nonan-1-ol
PubChem CID160785033
Molecular FormulaC16H36O2
Molecular Weight260.46 g/mol
Exact Mass260.27
IUPAC Nameheptan-1-ol;nonan-1-ol
SMILESCCCCCCCCCO.CCCCCCCO
InChIInChI=1S/C9H20O.C7H16O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8/h10H,2-9H2,1H3;8H,2-7H2,1H3
InChIKeySBCBBOYJDDEGEH-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.46
LogP ≤ 54.68
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

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
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
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of heptan-1-ol;nonan-1-ol?
The IUPAC name of heptan-1-ol;nonan-1-ol (CID 160785033) is heptan-1-ol;nonan-1-ol.
What is the SMILES notation for heptan-1-ol;nonan-1-ol?
The canonical SMILES for heptan-1-ol;nonan-1-ol is CCCCCCCCCO.CCCCCCCO.
What is the InChIKey of heptan-1-ol;nonan-1-ol?
The InChIKey is SBCBBOYJDDEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C7H16O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8/h10H,2-9H2,1H3;8H,2-7H2,1H3.
What are the key properties of heptan-1-ol;nonan-1-ol?
heptan-1-ol;nonan-1-ol has a molecular weight of 260.46 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-ol;nonan-1-ol is sourced from PubChem (CID 160785033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).