5,5-dimethylhepta-1,2-diene

C9H16 — CID 57124189

IUPAC5,5-dimethylhepta-1,2-diene
SMILESC=C=CCC(C)(C)CC
InChIInChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h7H,1,6,8H2,2-4H3
InChIKeyNHNMXSSIZLCXKS-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.15
Rot. Bonds3

About 5,5-dimethylhepta-1,2-diene

5,5-dimethylhepta-1,2-diene (PubChem CID 57124189) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 5,5-dimethylhepta-1,2-diene.

Molecular Properties

Compound Name5,5-dimethylhepta-1,2-diene
PubChem CID57124189
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name5,5-dimethylhepta-1,2-diene
SMILESC=C=CCC(C)(C)CC
InChIInChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h7H,1,6,8H2,2-4H3
InChIKeyNHNMXSSIZLCXKS-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethylpentane;propane
CID 90942978
N-buta-2,3-dienyl-2-methylbutan-2-amine
CID 155135195
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
4-propylocta-6,7-diene-1,4-diamine
CID 88707549
1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
CID 57019524
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
4-ethyl-4,7,7-trimethylnon-1-ene
CID 123137671
methane;propa-1,2-diene;propane
CID 160788212
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhepta-1,2-diene?
The IUPAC name of 5,5-dimethylhepta-1,2-diene (CID 57124189) is 5,5-dimethylhepta-1,2-diene.
What is the SMILES notation for 5,5-dimethylhepta-1,2-diene?
The canonical SMILES for 5,5-dimethylhepta-1,2-diene is C=C=CCC(C)(C)CC.
What is the InChIKey of 5,5-dimethylhepta-1,2-diene?
The InChIKey is NHNMXSSIZLCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h7H,1,6,8H2,2-4H3.
What are the key properties of 5,5-dimethylhepta-1,2-diene?
5,5-dimethylhepta-1,2-diene has a molecular weight of 124.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhepta-1,2-diene is sourced from PubChem (CID 57124189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).