5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol

C17H36O2 — CID 91870578

IUPAC5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol
SMILESCCCC(C)(CCCO)C(C)(CC)CC(C)(O)CC
InChIInChI=1S/C17H36O2/c1-7-11-16(5,12-10-13-18)15(4,8-2)14-17(6,19)9-3/h18-19H,7-14H2,1-6H3
InChIKeyXVJUHRHXKQJMHH-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.53
Rot. Bonds10

About 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol

5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol (PubChem CID 91870578) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol.

Molecular Properties

Compound Name5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol
PubChem CID91870578
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol
SMILESCCCC(C)(CCCO)C(C)(CC)CC(C)(O)CC
InChIInChI=1S/C17H36O2/c1-7-11-16(5,12-10-13-18)15(4,8-2)14-17(6,19)9-3/h18-19H,7-14H2,1-6H3
InChIKeyXVJUHRHXKQJMHH-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol?
The IUPAC name of 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol (CID 91870578) is 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol.
What is the SMILES notation for 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol?
The canonical SMILES for 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol is CCCC(C)(CCCO)C(C)(CC)CC(C)(O)CC.
What is the InChIKey of 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol?
The InChIKey is XVJUHRHXKQJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-7-11-16(5,12-10-13-18)15(4,8-2)14-17(6,19)9-3/h18-19H,7-14H2,1-6H3.
What are the key properties of 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol?
5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol has a molecular weight of 272.47 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol is sourced from PubChem (CID 91870578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).