5-ethyl-6-methylheptan-1-ol

C10H22O — CID 91402591

IUPAC5-ethyl-6-methylheptan-1-ol
SMILESCCC(CCCCO)C(C)C
InChIInChI=1S/C10H22O/c1-4-10(9(2)3)7-5-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyYLEFUHXQNWQCQW-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds6

About 5-ethyl-6-methylheptan-1-ol

5-ethyl-6-methylheptan-1-ol (PubChem CID 91402591) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 5-ethyl-6-methylheptan-1-ol.

Molecular Properties

Compound Name5-ethyl-6-methylheptan-1-ol
PubChem CID91402591
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name5-ethyl-6-methylheptan-1-ol
SMILESCCC(CCCCO)C(C)C
InChIInChI=1S/C10H22O/c1-4-10(9(2)3)7-5-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyYLEFUHXQNWQCQW-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
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

4-ethyl-5-methylhexan-1-ol
CID 87192920
5-ethyl-6-methyloctan-1-ol
CID 89076022
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-1-iodo-5-methylhexane
CID 118326959
14-methylhexadecan-1-ol
CID 5283264
(11S)-11-methyltridecan-1-ol
CID 71389600
(10S)-10-methyldodecan-1-ol
CID 11715372
(7S)-7-methylnonan-1-ol
CID 11105641
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
7-ethyl-N,8-dimethylnonan-2-amine
CID 91399919

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylheptan-1-ol?
The IUPAC name of 5-ethyl-6-methylheptan-1-ol (CID 91402591) is 5-ethyl-6-methylheptan-1-ol.
What is the SMILES notation for 5-ethyl-6-methylheptan-1-ol?
The canonical SMILES for 5-ethyl-6-methylheptan-1-ol is CCC(CCCCO)C(C)C.
What is the InChIKey of 5-ethyl-6-methylheptan-1-ol?
The InChIKey is YLEFUHXQNWQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-10(9(2)3)7-5-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-6-methylheptan-1-ol?
5-ethyl-6-methylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylheptan-1-ol is sourced from PubChem (CID 91402591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).