3,7-dimethyldeca-2,7-diene

C12H22 — CID 173346067

IUPAC3,7-dimethyldeca-2,7-diene
SMILESCC=C(C)CCCC(C)=CCC
InChIInChI=1S/C12H22/c1-5-8-12(4)10-7-9-11(3)6-2/h6,8H,5,7,9-10H2,1-4H3
InChIKeyVPJYOZJGQQOUDP-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds5

About 3,7-dimethyldeca-2,7-diene

3,7-dimethyldeca-2,7-diene (PubChem CID 173346067) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,7-dimethyldeca-2,7-diene.

Molecular Properties

Compound Name3,7-dimethyldeca-2,7-diene
PubChem CID173346067
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,7-dimethyldeca-2,7-diene
SMILESCC=C(C)CCCC(C)=CCC
InChIInChI=1S/C12H22/c1-5-8-12(4)10-7-9-11(3)6-2/h6,8H,5,7,9-10H2,1-4H3
InChIKeyVPJYOZJGQQOUDP-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methyloct-3-ene
CID 85445337
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
4-methylheptadec-3-ene
CID 59169426
(E)-4,8-dimethylnon-3-ene
CID 22743489
4,9-dimethyldec-3-ene
CID 91170380
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
CID 59229337
3-methylhept-2-ene
CID 91513604

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldeca-2,7-diene?
The IUPAC name of 3,7-dimethyldeca-2,7-diene (CID 173346067) is 3,7-dimethyldeca-2,7-diene.
What is the SMILES notation for 3,7-dimethyldeca-2,7-diene?
The canonical SMILES for 3,7-dimethyldeca-2,7-diene is CC=C(C)CCCC(C)=CCC.
What is the InChIKey of 3,7-dimethyldeca-2,7-diene?
The InChIKey is VPJYOZJGQQOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-12(4)10-7-9-11(3)6-2/h6,8H,5,7,9-10H2,1-4H3.
What are the key properties of 3,7-dimethyldeca-2,7-diene?
3,7-dimethyldeca-2,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldeca-2,7-diene is sourced from PubChem (CID 173346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).