4,7,7-trimethyloctan-3-ol

C11H24O — CID 63562017

IUPAC4,7,7-trimethyloctan-3-ol
SMILESCCC(O)C(C)CCC(C)(C)C
InChIInChI=1S/C11H24O/c1-6-10(12)9(2)7-8-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyGWXTYSDYQUCBIS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds4

About 4,7,7-trimethyloctan-3-ol

4,7,7-trimethyloctan-3-ol (PubChem CID 63562017) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4,7,7-trimethyloctan-3-ol.

Molecular Properties

Compound Name4,7,7-trimethyloctan-3-ol
PubChem CID63562017
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,7,7-trimethyloctan-3-ol
SMILESCCC(O)C(C)CCC(C)(C)C
InChIInChI=1S/C11H24O/c1-6-10(12)9(2)7-8-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyGWXTYSDYQUCBIS-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

(4R)-4-methylheptan-3-ol
CID 12799251
2,6,6-trimethylheptan-3-ol
CID 20577986
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2-(3,3-dimethylbutoxy)pentan-3-ol
CID 66225389
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
5-methylheptane-3,4-diol
CID 21486220
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352
tert-butyl (3S)-4-hydroxy-3-methylhexanoate
CID 59153209
2,3,6,6-tetramethylheptanoic acid
CID 81009492

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyloctan-3-ol?
The IUPAC name of 4,7,7-trimethyloctan-3-ol (CID 63562017) is 4,7,7-trimethyloctan-3-ol.
What is the SMILES notation for 4,7,7-trimethyloctan-3-ol?
The canonical SMILES for 4,7,7-trimethyloctan-3-ol is CCC(O)C(C)CCC(C)(C)C.
What is the InChIKey of 4,7,7-trimethyloctan-3-ol?
The InChIKey is GWXTYSDYQUCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-10(12)9(2)7-8-11(3,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4,7,7-trimethyloctan-3-ol?
4,7,7-trimethyloctan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyloctan-3-ol is sourced from PubChem (CID 63562017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).