2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol

C14H30O3 — CID 58455255

IUPAC2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol
SMILESCC(C)CC(O)C(O)C(C(C)C)C(O)C(C)C
InChIInChI=1S/C14H30O3/c1-8(2)7-11(15)14(17)12(9(3)4)13(16)10(5)6/h8-17H,7H2,1-6H3
InChIKeyRSLUYPPOEFYLFA-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.04
Rot. Bonds7

About 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol

2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol (PubChem CID 58455255) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol.

Molecular Properties

Compound Name2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol
PubChem CID58455255
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol
SMILESCC(C)CC(O)C(O)C(C(C)C)C(O)C(C)C
InChIInChI=1S/C14H30O3/c1-8(2)7-11(15)14(17)12(9(3)4)13(16)10(5)6/h8-17H,7H2,1-6H3
InChIKeyRSLUYPPOEFYLFA-UHFFFAOYSA-N
XLogP2.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978
2,6-dimethylheptane-1,3,4-triol
CID 123372157
(3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-8-methylnonan-2-one
CID 159890436
2-chloro-5-methylhexan-3-ol
CID 116863615
(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425
(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol
CID 118053388
2,4,6-trimethyl-3-propan-2-ylheptane
CID 57491411
(3R,5R)-2,7-dimethyloctane-3,5-diol
CID 14895751
2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745
5-amino-2,7-dimethyloctan-4-ol
CID 54358847

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol?
The IUPAC name of 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol (CID 58455255) is 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol.
What is the SMILES notation for 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol?
The canonical SMILES for 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol is CC(C)CC(O)C(O)C(C(C)C)C(O)C(C)C.
What is the InChIKey of 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol?
The InChIKey is RSLUYPPOEFYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-8(2)7-11(15)14(17)12(9(3)4)13(16)10(5)6/h8-17H,7H2,1-6H3.
What are the key properties of 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol?
2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol has a molecular weight of 246.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol is sourced from PubChem (CID 58455255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).