5-ethyl-7-methylnonane-1,2-diol

C12H26O2 — CID 87744088

IUPAC5-ethyl-7-methylnonane-1,2-diol
SMILESCCC(C)CC(CC)CCC(O)CO
InChIInChI=1S/C12H26O2/c1-4-10(3)8-11(5-2)6-7-12(14)9-13/h10-14H,4-9H2,1-3H3
InChIKeyVDCMPPWTSJLBDU-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds8

About 5-ethyl-7-methylnonane-1,2-diol

5-ethyl-7-methylnonane-1,2-diol (PubChem CID 87744088) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-ethyl-7-methylnonane-1,2-diol.

Molecular Properties

Compound Name5-ethyl-7-methylnonane-1,2-diol
PubChem CID87744088
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name5-ethyl-7-methylnonane-1,2-diol
SMILESCCC(C)CC(CC)CCC(O)CO
InChIInChI=1S/C12H26O2/c1-4-10(3)8-11(5-2)6-7-12(14)9-13/h10-14H,4-9H2,1-3H3
InChIKeyVDCMPPWTSJLBDU-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
7-methylnonane-1,2-diol
CID 144577410
6-ethyl-2,3,8-trimethyldecane
CID 90730025
(5S)-3-ethyl-5-methylheptane
CID 59094044
4-ethyl-2,7-dimethylnonane-1,9-diol
CID 91142814
(2S,8R)-8-methyldecane-1,2-diol
CID 11469535
3,5,8-triethyldecane-1,10-diol
CID 87065848
4-ethyltridecane-1,2-diol
CID 174824955
5-ethyl-3-methyloctane-1,1-diol
CID 175418461
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
(4S)-1-hydroperoxy-2-(hydroperoxymethyl)-4-methylhexane
CID 59874861
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methylnonane-1,2-diol?
The IUPAC name of 5-ethyl-7-methylnonane-1,2-diol (CID 87744088) is 5-ethyl-7-methylnonane-1,2-diol.
What is the SMILES notation for 5-ethyl-7-methylnonane-1,2-diol?
The canonical SMILES for 5-ethyl-7-methylnonane-1,2-diol is CCC(C)CC(CC)CCC(O)CO.
What is the InChIKey of 5-ethyl-7-methylnonane-1,2-diol?
The InChIKey is VDCMPPWTSJLBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-10(3)8-11(5-2)6-7-12(14)9-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-7-methylnonane-1,2-diol?
5-ethyl-7-methylnonane-1,2-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methylnonane-1,2-diol is sourced from PubChem (CID 87744088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).