nonane-3,7-diol

C9H20O2 — CID 22141483

IUPACnonane-3,7-diol
SMILESCCC(O)CCCC(O)CC
InChIInChI=1S/C9H20O2/c1-3-8(10)6-5-7-9(11)4-2/h8-11H,3-7H2,1-2H3
InChIKeyOTIAABPRCRPHFC-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.70
Rot. Bonds6

About nonane-3,7-diol

nonane-3,7-diol (PubChem CID 22141483) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is nonane-3,7-diol.

Molecular Properties

Compound Namenonane-3,7-diol
PubChem CID22141483
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namenonane-3,7-diol
SMILESCCC(O)CCCC(O)CC
InChIInChI=1S/C9H20O2/c1-3-8(10)6-5-7-9(11)4-2/h8-11H,3-7H2,1-2H3
InChIKeyOTIAABPRCRPHFC-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

decane-3,4,8-triol
CID 57273849
7-methylnonan-3-ol
CID 64515833
9-sulfanylnonan-3-ol
CID 91250076
icosan-3-ol
CID 14940768
(5R)-heptane-1,5-diol
CID 170849468
ethane;heptan-3-ol;yttrium
CID 178141983
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
7,9-dimethyldecan-3-ol
CID 156689495
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
2-methylnon-1-ene-3,7-diol
CID 140997811
non-1-ene-3,7-diol
CID 22245625

Frequently Asked Questions

What is the IUPAC name of nonane-3,7-diol?
The IUPAC name of nonane-3,7-diol (CID 22141483) is nonane-3,7-diol.
What is the SMILES notation for nonane-3,7-diol?
The canonical SMILES for nonane-3,7-diol is CCC(O)CCCC(O)CC.
What is the InChIKey of nonane-3,7-diol?
The InChIKey is OTIAABPRCRPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-8(10)6-5-7-9(11)4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of nonane-3,7-diol?
nonane-3,7-diol has a molecular weight of 160.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-3,7-diol is sourced from PubChem (CID 22141483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).