5-ethyl-6-methyloctan-1-ol

C11H24O — CID 89076022

IUPAC5-ethyl-6-methyloctan-1-ol
SMILESCCC(C)C(CC)CCCCO
InChIInChI=1S/C11H24O/c1-4-10(3)11(5-2)8-6-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyZGKZFQYNKBHIOM-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds7

About 5-ethyl-6-methyloctan-1-ol

5-ethyl-6-methyloctan-1-ol (PubChem CID 89076022) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 5-ethyl-6-methyloctan-1-ol.

Molecular Properties

Compound Name5-ethyl-6-methyloctan-1-ol
PubChem CID89076022
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name5-ethyl-6-methyloctan-1-ol
SMILESCCC(C)C(CC)CCCCO
InChIInChI=1S/C11H24O/c1-4-10(3)11(5-2)8-6-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyZGKZFQYNKBHIOM-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
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

5-ethyl-6-methylheptan-1-ol
CID 91402591
4-butan-2-yloctan-1-ol
CID 57029732
4-ethyl-3-methylundecane
CID 57279647
4-ethyl-5-methylhexan-1-ol
CID 87192920
2-butan-2-ylheptan-1-ol
CID 86041006
(4R)-3-ethyl-4-methylhexane
CID 59954491
2-methyl-3-propyldecane-1,10-diol
CID 87292989
14-methylhexadecan-1-ol
CID 5283264
(11S)-11-methyltridecan-1-ol
CID 71389600
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyloctan-1-ol?
The IUPAC name of 5-ethyl-6-methyloctan-1-ol (CID 89076022) is 5-ethyl-6-methyloctan-1-ol.
What is the SMILES notation for 5-ethyl-6-methyloctan-1-ol?
The canonical SMILES for 5-ethyl-6-methyloctan-1-ol is CCC(C)C(CC)CCCCO.
What is the InChIKey of 5-ethyl-6-methyloctan-1-ol?
The InChIKey is ZGKZFQYNKBHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-10(3)11(5-2)8-6-7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-6-methyloctan-1-ol?
5-ethyl-6-methyloctan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyloctan-1-ol is sourced from PubChem (CID 89076022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).