(3R,5R)-2,7-dimethyloctane-3,5-diol

C10H22O2 — CID 14895751

IUPAC(3R,5R)-2,7-dimethyloctane-3,5-diol
SMILESCC(C)C[C@@H](O)C[C@@H](O)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyMQOALDSLSUIXBE-NXEZZACHSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds5

About (3R,5R)-2,7-dimethyloctane-3,5-diol

(3R,5R)-2,7-dimethyloctane-3,5-diol (PubChem CID 14895751) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3R,5R)-2,7-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-2,7-dimethyloctane-3,5-diol
PubChem CID14895751
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3R,5R)-2,7-dimethyloctane-3,5-diol
SMILESCC(C)C[C@@H](O)C[C@@H](O)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyMQOALDSLSUIXBE-NXEZZACHSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
9-amino-2-methyldodecane-3,5,7-triol
CID 89065903
1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol
CID 137390115
(3R)-5-amino-2,7-dimethyloctan-3-ol
CID 167246678
pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol
CID 158783956
butane;2,5-dimethylhexan-3-ol;(E)-2,5-dimethylhex-3-ene;propane
CID 157485738
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
CID 158712892
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,7-dimethyloctane-3,5-diol?
The IUPAC name of (3R,5R)-2,7-dimethyloctane-3,5-diol (CID 14895751) is (3R,5R)-2,7-dimethyloctane-3,5-diol.
What is the SMILES notation for (3R,5R)-2,7-dimethyloctane-3,5-diol?
The canonical SMILES for (3R,5R)-2,7-dimethyloctane-3,5-diol is CC(C)C[C@@H](O)C[C@@H](O)C(C)C.
What is the InChIKey of (3R,5R)-2,7-dimethyloctane-3,5-diol?
The InChIKey is MQOALDSLSUIXBE-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-2,7-dimethyloctane-3,5-diol?
(3R,5R)-2,7-dimethyloctane-3,5-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,7-dimethyloctane-3,5-diol is sourced from PubChem (CID 14895751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).