7-ethyl-3-methylnonane-3,5-diol

C12H26O2 — CID 87744147

IUPAC7-ethyl-3-methylnonane-3,5-diol
SMILESCCC(CC)CC(O)CC(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(6-2)8-11(13)9-12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3
InChIKeyXDKLOYCLTUVKKF-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds7

About 7-ethyl-3-methylnonane-3,5-diol

7-ethyl-3-methylnonane-3,5-diol (PubChem CID 87744147) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 7-ethyl-3-methylnonane-3,5-diol.

Molecular Properties

Compound Name7-ethyl-3-methylnonane-3,5-diol
PubChem CID87744147
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name7-ethyl-3-methylnonane-3,5-diol
SMILESCCC(CC)CC(O)CC(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(6-2)8-11(13)9-12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3
InChIKeyXDKLOYCLTUVKKF-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methylheptane-2,3-diol
CID 103449113
3,5-diethylheptan-3-ol
CID 82929105
(2R,4S)-2-methylpentane-1,2,4,5-tetrol
CID 54145508
3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
benzoic acid;2-methylheptane-3,5-diol;3-methylheptane-3,5-diol
CID 175571670
2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
3,5,6,7-tetramethyloctan-3-ol
CID 91548783
pentane-1,1,1,3-tetrol
CID 176711420
3-methyl-1-phenylpentane-1,3-diol
CID 173455419

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methylnonane-3,5-diol?
The IUPAC name of 7-ethyl-3-methylnonane-3,5-diol (CID 87744147) is 7-ethyl-3-methylnonane-3,5-diol.
What is the SMILES notation for 7-ethyl-3-methylnonane-3,5-diol?
The canonical SMILES for 7-ethyl-3-methylnonane-3,5-diol is CCC(CC)CC(O)CC(C)(O)CC.
What is the InChIKey of 7-ethyl-3-methylnonane-3,5-diol?
The InChIKey is XDKLOYCLTUVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-10(6-2)8-11(13)9-12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 7-ethyl-3-methylnonane-3,5-diol?
7-ethyl-3-methylnonane-3,5-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methylnonane-3,5-diol is sourced from PubChem (CID 87744147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).