3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol

C12H24O2 — CID 141473326

IUPAC3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol
SMILESC=C(C(C)C(O)CO)C(C)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-8(9(2)11(14)7-13)10(3)12(4,5)6/h9-11,13-14H,1,7H2,2-6H3
InChIKeyAODPCHNMKULZSQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.21
Rot. Bonds4

About 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol

3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol (PubChem CID 141473326) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol.

Molecular Properties

Compound Name3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol
PubChem CID141473326
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol
SMILESC=C(C(C)C(O)CO)C(C)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-8(9(2)11(14)7-13)10(3)12(4,5)6/h9-11,13-14H,1,7H2,2-6H3
InChIKeyAODPCHNMKULZSQ-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol 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 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol?
The IUPAC name of 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol (CID 141473326) is 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol.
What is the SMILES notation for 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol?
The canonical SMILES for 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol is C=C(C(C)C(O)CO)C(C)C(C)(C)C.
What is the InChIKey of 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol?
The InChIKey is AODPCHNMKULZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(9(2)11(14)7-13)10(3)12(4,5)6/h9-11,13-14H,1,7H2,2-6H3.
What are the key properties of 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol?
3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol has a molecular weight of 200.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6-tetramethyl-4-methylideneheptane-1,2-diol is sourced from PubChem (CID 141473326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).