(2R,6R)-2,6-dimethylheptane-1,7-diol

C9H20O2 — CID 10534981

IUPAC(2R,6R)-2,6-dimethylheptane-1,7-diol
SMILESC[C@@H](CO)CCC[C@@H](C)CO
InChIInChI=1S/C9H20O2/c1-8(6-10)4-3-5-9(2)7-11/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOJGZGRBLINGMOG-RKDXNWHRSA-N
MW160.26 g/mol
LogP1.41
Rot. Bonds6

About (2R,6R)-2,6-dimethylheptane-1,7-diol

(2R,6R)-2,6-dimethylheptane-1,7-diol (PubChem CID 10534981) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethylheptane-1,7-diol.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethylheptane-1,7-diol
PubChem CID10534981
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(2R,6R)-2,6-dimethylheptane-1,7-diol
SMILESC[C@@H](CO)CCC[C@@H](C)CO
InChIInChI=1S/C9H20O2/c1-8(6-10)4-3-5-9(2)7-11/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOJGZGRBLINGMOG-RKDXNWHRSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-2,6-dimethylheptane-1,7-diol 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

2,6-dimethylheptane-1,7-diol
CID 12653721
2,7-dimethyloctane-1,8-diol
CID 11008425
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
CID 172712223
CID 172712223
6-iodo-2-methylheptan-1-ol
CID 167560507
2-methylhexan-1-ol
CID 159157237
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
2,6-dimethyldodecan-1-ol
CID 14392571
6-methoxy-2-methylheptan-1-ol
CID 139725906
8-hydroxy-3,7-dimethyloctanoic acid
CID 22035520
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethylheptane-1,7-diol?
The IUPAC name of (2R,6R)-2,6-dimethylheptane-1,7-diol (CID 10534981) is (2R,6R)-2,6-dimethylheptane-1,7-diol.
What is the SMILES notation for (2R,6R)-2,6-dimethylheptane-1,7-diol?
The canonical SMILES for (2R,6R)-2,6-dimethylheptane-1,7-diol is C[C@@H](CO)CCC[C@@H](C)CO.
What is the InChIKey of (2R,6R)-2,6-dimethylheptane-1,7-diol?
The InChIKey is OJGZGRBLINGMOG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(6-10)4-3-5-9(2)7-11/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethylheptane-1,7-diol?
(2R,6R)-2,6-dimethylheptane-1,7-diol has a molecular weight of 160.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethylheptane-1,7-diol is sourced from PubChem (CID 10534981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).