7-methyloctan-1-ol

C9H20O — CID 17072

IUPAC7-methyloctan-1-ol
SMILESCC(C)CCCCCCO
InChIInChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyQDTDKYHPHANITQ-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.59
Rot. Bonds6

About 7-methyloctan-1-ol

7-methyloctan-1-ol (PubChem CID 17072) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 7-methyloctan-1-ol.

Molecular Properties

Compound Name7-methyloctan-1-ol
PubChem CID17072
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name7-methyloctan-1-ol
SMILESCC(C)CCCCCCO
InChIInChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyQDTDKYHPHANITQ-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.59
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

2-Ethylhexanol
CID 7720
3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
3,7-Dimethyl-1,7-octanediol
CID 249494
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
Isostearyl Alcohol EX
CID 62825
2-Cyclohexylethanol
CID 20508
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
2-Hexyl-1-decanol
CID 95337

Frequently Asked Questions

What is the IUPAC name of 7-methyloctan-1-ol?
The IUPAC name of 7-methyloctan-1-ol (CID 17072) is 7-methyloctan-1-ol.
What is the SMILES notation for 7-methyloctan-1-ol?
The canonical SMILES for 7-methyloctan-1-ol is CC(C)CCCCCCO.
What is the InChIKey of 7-methyloctan-1-ol?
The InChIKey is QDTDKYHPHANITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-methyloctan-1-ol?
7-methyloctan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctan-1-ol is sourced from PubChem (CID 17072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).