5,5-dimethyl-3-propan-2-ylheptan-2-ol

C12H26O — CID 156689554

IUPAC5,5-dimethyl-3-propan-2-ylheptan-2-ol
SMILESCCC(C)(C)CC(C(C)C)C(C)O
InChIInChI=1S/C12H26O/c1-7-12(5,6)8-11(9(2)3)10(4)13/h9-11,13H,7-8H2,1-6H3
InChIKeyURUOSGVRNPAMJR-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds5

About 5,5-dimethyl-3-propan-2-ylheptan-2-ol

5,5-dimethyl-3-propan-2-ylheptan-2-ol (PubChem CID 156689554) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-ylheptan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-ylheptan-2-ol
PubChem CID156689554
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5,5-dimethyl-3-propan-2-ylheptan-2-ol
SMILESCCC(C)(C)CC(C(C)C)C(C)O
InChIInChI=1S/C12H26O/c1-7-12(5,6)8-11(9(2)3)10(4)13/h9-11,13H,7-8H2,1-6H3
InChIKeyURUOSGVRNPAMJR-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-3-propan-2-ylheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
trimethyl(2,2,5,5-tetramethylheptan-3-yl)silane
CID 91235940
3,3-dimethylpentane;propane
CID 90942978
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
2,7,7-trimethylnonan-3-ol
CID 162360269
3-(2,2-dimethylbutylamino)butan-2-ol
CID 103461276
(2S,5R)-3-propan-2-ylhexane-2,5-diol
CID 118216502
1,1-difluoro-3,3-dimethylpentane
CID 170027103
1,1-dibromo-3,3-dimethylpentane
CID 19884394
3-ethyl-6,6-dimethyloctan-2-ol
CID 156689624
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
3,3,5,7-tetramethylnonane
CID 57490983

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-ylheptan-2-ol?
The IUPAC name of 5,5-dimethyl-3-propan-2-ylheptan-2-ol (CID 156689554) is 5,5-dimethyl-3-propan-2-ylheptan-2-ol.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-ylheptan-2-ol?
The canonical SMILES for 5,5-dimethyl-3-propan-2-ylheptan-2-ol is CCC(C)(C)CC(C(C)C)C(C)O.
What is the InChIKey of 5,5-dimethyl-3-propan-2-ylheptan-2-ol?
The InChIKey is URUOSGVRNPAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-12(5,6)8-11(9(2)3)10(4)13/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 5,5-dimethyl-3-propan-2-ylheptan-2-ol?
5,5-dimethyl-3-propan-2-ylheptan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-ylheptan-2-ol is sourced from PubChem (CID 156689554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).