2,6-dimethyl-4-propan-2-ylheptan-4-ol

C12H26O — CID 549814

IUPAC2,6-dimethyl-4-propan-2-ylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyMRVUYQAVPDEPRD-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds5

About 2,6-dimethyl-4-propan-2-ylheptan-4-ol

2,6-dimethyl-4-propan-2-ylheptan-4-ol (PubChem CID 549814) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylheptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylheptan-4-ol
PubChem CID549814
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,6-dimethyl-4-propan-2-ylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyMRVUYQAVPDEPRD-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 2,6-dimethyl-4-propan-2-ylheptan-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylheptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylheptan-4-ol (CID 549814) is 2,6-dimethyl-4-propan-2-ylheptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylheptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylheptan-4-ol is CC(C)CC(O)(CC(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylheptan-4-ol?
The InChIKey is MRVUYQAVPDEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylheptan-4-ol?
2,6-dimethyl-4-propan-2-ylheptan-4-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 2,6-dimethyl-4-propan-2-ylheptan-4-ol is sourced from PubChem (CID 549814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).