3-methylheptan-3-ol

C8H18O — CID 11710

IUPAC3-methylheptan-3-ol
SMILESCCCCC(C)(O)CC
InChIInChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKeyPQOSNJHBSNZITJ-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.34
Rot. Bonds4

About 3-methylheptan-3-ol

3-methylheptan-3-ol (PubChem CID 11710) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-methylheptan-3-ol.

Molecular Properties

Compound Name3-methylheptan-3-ol
PubChem CID11710
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-methylheptan-3-ol
SMILESCCCCC(C)(O)CC
InChIInChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKeyPQOSNJHBSNZITJ-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-heptanol
CID 12242
2-Methylhexan-2-ol
CID 12240
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
3-Methyl-3-octanol
CID 21432
2,5-Dimethyl-2,5-hexanediol
CID 8031
2,3-Dimethyl-2-hexanol
CID 137270
1-Ethylcyclohexanol
CID 16021
1-Propyl-1-cyclopentanol
CID 98267
3-Hexanol, 3-methyl-
CID 11708
3,5-Dimethyl-3-hexanol
CID 98266
3,6-Dimethyl-3-heptanol
CID 15297

Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-3-ol?
The IUPAC name of 3-methylheptan-3-ol (CID 11710) is 3-methylheptan-3-ol.
What is the SMILES notation for 3-methylheptan-3-ol?
The canonical SMILES for 3-methylheptan-3-ol is CCCCC(C)(O)CC.
What is the InChIKey of 3-methylheptan-3-ol?
The InChIKey is PQOSNJHBSNZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3.
What are the key properties of 3-methylheptan-3-ol?
3-methylheptan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-3-ol is sourced from PubChem (CID 11710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).