4-ethyl-5-methylhexan-1-ol

C9H20O — CID 87192920

IUPAC4-ethyl-5-methylhexan-1-ol
SMILESCCC(CCCO)C(C)C
InChIInChI=1S/C9H20O/c1-4-9(8(2)3)6-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBBVCCVAFLKQRMK-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds5

About 4-ethyl-5-methylhexan-1-ol

4-ethyl-5-methylhexan-1-ol (PubChem CID 87192920) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-ethyl-5-methylhexan-1-ol.

Molecular Properties

Compound Name4-ethyl-5-methylhexan-1-ol
PubChem CID87192920
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name4-ethyl-5-methylhexan-1-ol
SMILESCCC(CCCO)C(C)C
InChIInChI=1S/C9H20O/c1-4-9(8(2)3)6-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBBVCCVAFLKQRMK-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-6-methylheptan-1-ol
CID 91402591
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-1-iodo-5-methylhexane
CID 118326959
5-ethyl-6-methyloctan-1-ol
CID 89076022
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
4-butan-2-yloctan-1-ol
CID 57029732
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
4,7-dimethylnonan-1-ol
CID 87272409

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylhexan-1-ol?
The IUPAC name of 4-ethyl-5-methylhexan-1-ol (CID 87192920) is 4-ethyl-5-methylhexan-1-ol.
What is the SMILES notation for 4-ethyl-5-methylhexan-1-ol?
The canonical SMILES for 4-ethyl-5-methylhexan-1-ol is CCC(CCCO)C(C)C.
What is the InChIKey of 4-ethyl-5-methylhexan-1-ol?
The InChIKey is BBVCCVAFLKQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-9(8(2)3)6-5-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-5-methylhexan-1-ol?
4-ethyl-5-methylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylhexan-1-ol is sourced from PubChem (CID 87192920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).