hexa-1,3-diene;4-methylidenehex-2-ene

C13H22 — CID 174375907

IUPAChexa-1,3-diene;4-methylidenehex-2-ene
SMILESC=C(C=CC)CC.C=CC=CCC
InChIInChI=1S/C7H12.C6H10/c1-4-6-7(3)5-2;1-3-5-6-4-2/h4,6H,3,5H2,1-2H3;3,5-6H,1,4H2,2H3
InChIKeyKHNQMWGTTAJQFI-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.67
Rot. Bonds4

About hexa-1,3-diene;4-methylidenehex-2-ene

hexa-1,3-diene;4-methylidenehex-2-ene (PubChem CID 174375907) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is hexa-1,3-diene;4-methylidenehex-2-ene.

Molecular Properties

Compound Namehexa-1,3-diene;4-methylidenehex-2-ene
PubChem CID174375907
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namehexa-1,3-diene;4-methylidenehex-2-ene
SMILESC=C(C=CC)CC.C=CC=CCC
InChIInChI=1S/C7H12.C6H10/c1-4-6-7(3)5-2;1-3-5-6-4-2/h4,6H,3,5H2,1-2H3;3,5-6H,1,4H2,2H3
InChIKeyKHNQMWGTTAJQFI-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cobalt;hexa-1,3-diene
CID 174676950
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
azanium;hexa-1,3-diene;chloride
CID 161298695
3-methylidenepent-1-ene;penta-1,3-diene
CID 158839725
(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
CID 143012341
benzene;(3E)-hexa-1,3-diene
CID 173449950
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
benzene;ethane;(3Z)-hexa-1,3-diene
CID 145406592
4-methylidenehepta-1,5-diene
CID 76553064
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
8-methylidenedeca-2,6-diene
CID 123418054
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807

Frequently Asked Questions

What is the IUPAC name of hexa-1,3-diene;4-methylidenehex-2-ene?
The IUPAC name of hexa-1,3-diene;4-methylidenehex-2-ene (CID 174375907) is hexa-1,3-diene;4-methylidenehex-2-ene.
What is the SMILES notation for hexa-1,3-diene;4-methylidenehex-2-ene?
The canonical SMILES for hexa-1,3-diene;4-methylidenehex-2-ene is C=C(C=CC)CC.C=CC=CCC.
What is the InChIKey of hexa-1,3-diene;4-methylidenehex-2-ene?
The InChIKey is KHNQMWGTTAJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H10/c1-4-6-7(3)5-2;1-3-5-6-4-2/h4,6H,3,5H2,1-2H3;3,5-6H,1,4H2,2H3.
What are the key properties of hexa-1,3-diene;4-methylidenehex-2-ene?
hexa-1,3-diene;4-methylidenehex-2-ene has a molecular weight of 178.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,3-diene;4-methylidenehex-2-ene is sourced from PubChem (CID 174375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).