2,7-dimethylocta-1,7-diene;hydron

C10H19+ — CID 174323451

IUPAC2,7-dimethylocta-1,7-diene;hydron
SMILESC=C(C)CCCCC(=C)C.[H+]
InChIInChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h1,3,5-8H2,2,4H3/p+1
InChIKeyZKLZBMDZTNAIST-UHFFFAOYSA-O
MW139.26 g/mol
LogP3.81
Rot. Bonds5

About 2,7-dimethylocta-1,7-diene;hydron

2,7-dimethylocta-1,7-diene;hydron (PubChem CID 174323451) has the molecular formula C10H19+ and a molecular weight of 139.26 g/mol. Its IUPAC name is 2,7-dimethylocta-1,7-diene;hydron.

Molecular Properties

Compound Name2,7-dimethylocta-1,7-diene;hydron
PubChem CID174323451
Molecular FormulaC10H19+
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name2,7-dimethylocta-1,7-diene;hydron
SMILESC=C(C)CCCCC(=C)C.[H+]
InChIInChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h1,3,5-8H2,2,4H3/p+1
InChIKeyZKLZBMDZTNAIST-UHFFFAOYSA-O
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,14-dimethylpentadeca-1,14-diene
CID 123962057
5-methylhex-5-en-1-ol
CID 10820498
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2-methylhex-1-ene
CID 158402499
8-chloro-2-methyloct-1-ene
CID 24721692
19-methylicos-19-en-2-one
CID 170573260
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
18-methylnonadec-18-enoic acid
CID 123841309
(7E)-2-methylnona-1,7-diene
CID 23197153

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-1,7-diene;hydron?
The IUPAC name of 2,7-dimethylocta-1,7-diene;hydron (CID 174323451) is 2,7-dimethylocta-1,7-diene;hydron.
What is the SMILES notation for 2,7-dimethylocta-1,7-diene;hydron?
The canonical SMILES for 2,7-dimethylocta-1,7-diene;hydron is C=C(C)CCCCC(=C)C.[H+].
What is the InChIKey of 2,7-dimethylocta-1,7-diene;hydron?
The InChIKey is ZKLZBMDZTNAIST-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h1,3,5-8H2,2,4H3/p+1.
What are the key properties of 2,7-dimethylocta-1,7-diene;hydron?
2,7-dimethylocta-1,7-diene;hydron has a molecular weight of 139.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-1,7-diene;hydron is sourced from PubChem (CID 174323451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).