4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one

C10H18N4O — CID 129162779

IUPAC4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
SMILESCC(=O)CC(C)CC(C)Cc1nn[nH]n1
InChIInChI=1S/C10H18N4O/c1-7(5-9(3)15)4-8(2)6-10-11-13-14-12-10/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyAGYBKDJWTYQKFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.38
Rot. Bonds6

About 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one

4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one (PubChem CID 129162779) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
PubChem CID129162779
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
SMILESCC(=O)CC(C)CC(C)Cc1nn[nH]n1
InChIInChI=1S/C10H18N4O/c1-7(5-9(3)15)4-8(2)6-10-11-13-14-12-10/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyAGYBKDJWTYQKFC-UHFFFAOYSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one
CID 135085935
17-(2H-tetrazol-5-yl)heptadecan-2-one
CID 57817745
6,8-bis(2H-tetrazol-5-ylmethyl)tridecan-7-one
CID 67204705
16-(2H-tetrazol-5-yl)hexadecan-2-one
CID 68231981
18-(2H-tetrazol-5-yl)octadecan-2-one
CID 68232172
1,1-bis(2H-tetrazol-5-yl)tetradecane-6,9-dione
CID 69537815
1,5-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
CID 69537866
2,12-dimethyl-1,12-bis(2H-tetrazol-5-yl)tridecan-7-one
CID 69670855
1,1-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
CID 69964612
1,2-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
CID 69987289
1,1-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
CID 69987290
1,4-bis(2H-tetrazol-5-yl)tetradecane-6,9-dione
CID 69989724

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one?
The IUPAC name of 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one (CID 129162779) is 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one.
What is the SMILES notation for 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one?
The canonical SMILES for 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one is CC(=O)CC(C)CC(C)Cc1nn[nH]n1.
What is the InChIKey of 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one?
The InChIKey is AGYBKDJWTYQKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(5-9(3)15)4-8(2)6-10-11-13-14-12-10/h7-8H,4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one?
4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one is sourced from PubChem (CID 129162779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).