3,4,6-trimethylheptan-1-ol

C10H22O — CID 139847668

IUPAC3,4,6-trimethylheptan-1-ol
SMILESCC(C)CC(C)C(C)CCO
InChIInChI=1S/C10H22O/c1-8(2)7-10(4)9(3)5-6-11/h8-11H,5-7H2,1-4H3
InChIKeyYNEGVJKTIUCZMD-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.69
Rot. Bonds5

About 3,4,6-trimethylheptan-1-ol

3,4,6-trimethylheptan-1-ol (PubChem CID 139847668) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name3,4,6-trimethylheptan-1-ol
PubChem CID139847668
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,4,6-trimethylheptan-1-ol
SMILESCC(C)CC(C)C(C)CCO
InChIInChI=1S/C10H22O/c1-8(2)7-10(4)9(3)5-6-11/h8-11H,5-7H2,1-4H3
InChIKeyYNEGVJKTIUCZMD-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5,8,10-pentamethylundecane
CID 123878114
15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
CID 139255014
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
4,4-diamino-3-methylbutan-1-ol
CID 87068765
2,4,5,8-tetramethylundecane
CID 123839422
3,4,8,8-tetramethylnonan-1-ol
CID 58843211
2,4,5-trimethyldodecane
CID 123969029
5,6,8-trimethylnon-1-ene
CID 123478459
1-chloro-2,3,5-trimethylhexane
CID 130519679
3-methylhexane-1,4,5-triol
CID 90439662
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethylheptan-1-ol?
The IUPAC name of 3,4,6-trimethylheptan-1-ol (CID 139847668) is 3,4,6-trimethylheptan-1-ol.
What is the SMILES notation for 3,4,6-trimethylheptan-1-ol?
The canonical SMILES for 3,4,6-trimethylheptan-1-ol is CC(C)CC(C)C(C)CCO.
What is the InChIKey of 3,4,6-trimethylheptan-1-ol?
The InChIKey is YNEGVJKTIUCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)7-10(4)9(3)5-6-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 3,4,6-trimethylheptan-1-ol?
3,4,6-trimethylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 139847668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).