ethane;formamide;heptane-1,7-diol

C10H25NO3 — CID 176682059

IUPACethane;formamide;heptane-1,7-diol
SMILESCC.NC=O.OCCCCCCCO
InChIInChI=1S/C7H16O2.C2H6.CH3NO/c8-6-4-2-1-3-5-7-9;1-2;2-1-3/h8-9H,1-7H2;1-2H3;1H,(H2,2,3)
InChIKeyUWJHERIIZASMIG-UHFFFAOYSA-N
MW207.31 g/mol
LogP1.05
Rot. Bonds6

About ethane;formamide;heptane-1,7-diol

ethane;formamide;heptane-1,7-diol (PubChem CID 176682059) has the molecular formula C10H25NO3 and a molecular weight of 207.31 g/mol. Its IUPAC name is ethane;formamide;heptane-1,7-diol.

Molecular Properties

Compound Nameethane;formamide;heptane-1,7-diol
PubChem CID176682059
Molecular FormulaC10H25NO3
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Nameethane;formamide;heptane-1,7-diol
SMILESCC.NC=O.OCCCCCCCO
InChIInChI=1S/C7H16O2.C2H6.CH3NO/c8-6-4-2-1-3-5-7-9;1-2;2-1-3/h8-9H,1-7H2;1-2H3;1H,(H2,2,3)
InChIKeyUWJHERIIZASMIG-UHFFFAOYSA-N
XLogP1.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
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trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
ethane;formamide
CID 142305753
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
17-hydroxyheptadecanal
CID 134210784
25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
dodecan-1-ol;ethane
CID 87449114

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;heptane-1,7-diol?
The IUPAC name of ethane;formamide;heptane-1,7-diol (CID 176682059) is ethane;formamide;heptane-1,7-diol.
What is the SMILES notation for ethane;formamide;heptane-1,7-diol?
The canonical SMILES for ethane;formamide;heptane-1,7-diol is CC.NC=O.OCCCCCCCO.
What is the InChIKey of ethane;formamide;heptane-1,7-diol?
The InChIKey is UWJHERIIZASMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C2H6.CH3NO/c8-6-4-2-1-3-5-7-9;1-2;2-1-3/h8-9H,1-7H2;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;heptane-1,7-diol?
ethane;formamide;heptane-1,7-diol has a molecular weight of 207.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;heptane-1,7-diol is sourced from PubChem (CID 176682059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).