4,8-dipropylundecane-5,7-diol

C17H36O2 — CID 157462430

IUPAC4,8-dipropylundecane-5,7-diol
SMILESCCCC(CCC)C(O)CC(O)C(CCC)CCC
InChIInChI=1S/C17H36O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h14-19H,5-13H2,1-4H3
InChIKeyGULMDUBSXYCRJR-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.53
Rot. Bonds12

About 4,8-dipropylundecane-5,7-diol

4,8-dipropylundecane-5,7-diol (PubChem CID 157462430) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 4,8-dipropylundecane-5,7-diol.

Molecular Properties

Compound Name4,8-dipropylundecane-5,7-diol
PubChem CID157462430
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name4,8-dipropylundecane-5,7-diol
SMILESCCCC(CCC)C(O)CC(O)C(CCC)CCC
InChIInChI=1S/C17H36O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h14-19H,5-13H2,1-4H3
InChIKeyGULMDUBSXYCRJR-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpentane-1,1-diol
CID 87788314
5-butylnonan-4-ol
CID 173066814
octane-4,5-diol;hydrate
CID 141056272
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
3-propylnonane-1,2-diol
CID 142914720
5-hydroxy-4-propyloctanenitrile
CID 13164028
2-methyl-4-propylnonan-5-ol
CID 156689465
decane-4,5,6,7-tetrol
CID 73238857
2,4-dimethyl-6-propylnonan-5-ol
CID 156689504
8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol
CID 123778874
4,5-diethyloctane
CID 519254
2,5-dimethyl-4-propyloctane
CID 57491236

Frequently Asked Questions

What is the IUPAC name of 4,8-dipropylundecane-5,7-diol?
The IUPAC name of 4,8-dipropylundecane-5,7-diol (CID 157462430) is 4,8-dipropylundecane-5,7-diol.
What is the SMILES notation for 4,8-dipropylundecane-5,7-diol?
The canonical SMILES for 4,8-dipropylundecane-5,7-diol is CCCC(CCC)C(O)CC(O)C(CCC)CCC.
What is the InChIKey of 4,8-dipropylundecane-5,7-diol?
The InChIKey is GULMDUBSXYCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h14-19H,5-13H2,1-4H3.
What are the key properties of 4,8-dipropylundecane-5,7-diol?
4,8-dipropylundecane-5,7-diol has a molecular weight of 272.47 g/mol, XLogP of 4.53, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dipropylundecane-5,7-diol is sourced from PubChem (CID 157462430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).