(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol

C11H24O3 — CID 10488429

IUPAC(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
SMILESCC[C@@H](O)[C@H](C)C(O)[C@H](C)[C@H](O)CC
InChIInChI=1S/C11H24O3/c1-5-9(12)7(3)11(14)8(4)10(13)6-2/h7-14H,5-6H2,1-4H3/t7-,8+,9-,10-,11?/m1/s1
InChIKeyXTJJEFGBVSUSHE-SJWJCTCFSA-N
MW204.31 g/mol
LogP1.16
Rot. Bonds6

About (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol

(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol (PubChem CID 10488429) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol.

Molecular Properties

Compound Name(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
PubChem CID10488429
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
SMILESCC[C@@H](O)[C@H](C)C(O)[C@H](C)[C@H](O)CC
InChIInChI=1S/C11H24O3/c1-5-9(12)7(3)11(14)8(4)10(13)6-2/h7-14H,5-6H2,1-4H3/t7-,8+,9-,10-,11?/m1/s1
InChIKeyXTJJEFGBVSUSHE-SJWJCTCFSA-N
XLogP1.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
3-methylhexane-2,4-diol
CID 22245660
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
2,3-dimethylhexane-1,4-diol
CID 57128275
(3S,4R,5S)-2,4-dimethylhept-1-ene-3,5-diol
CID 10997320
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
5-methylheptane-3,4-diol
CID 21486220
8-methylnonane-3,4,5,6-tetrol
CID 88909679
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
(2R,3R,4S,5S,6R,7R,8R,9R,10S,11S,12R,13R)-2,4,6,8,10,12-hexamethyl-1-phenylmethoxypentadecane-3,5,7,9,11,13-hexol
CID 102331265
2,4-dimethyloctane-3,5-diol
CID 164810304
5,6,6-trimethylheptane-3,4-diol
CID 139972408

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol?
The IUPAC name of (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol (CID 10488429) is (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol.
What is the SMILES notation for (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol?
The canonical SMILES for (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol is CC[C@@H](O)[C@H](C)C(O)[C@H](C)[C@H](O)CC.
What is the InChIKey of (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol?
The InChIKey is XTJJEFGBVSUSHE-SJWJCTCFSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-9(12)7(3)11(14)8(4)10(13)6-2/h7-14H,5-6H2,1-4H3/t7-,8+,9-,10-,11?/m1/s1.
What are the key properties of (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol?
(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol has a molecular weight of 204.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol is sourced from PubChem (CID 10488429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).