2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene

C12H20 — CID 123312378

IUPAC2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene
SMILESCC=C(C)C(C=C(C)C)=C(C)C
InChIInChI=1S/C12H20/c1-7-11(6)12(10(4)5)8-9(2)3/h7-8H,1-6H3
InChIKeyAROLXRGVANLEKC-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds2

About 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene

2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene (PubChem CID 123312378) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene
PubChem CID123312378
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene
SMILESCC=C(C)C(C=C(C)C)=C(C)C
InChIInChI=1S/C12H20/c1-7-11(6)12(10(4)5)8-9(2)3/h7-8H,1-6H3
InChIKeyAROLXRGVANLEKC-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

5-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 126636597
2,5-dimethylhepta-2,5-dien-4-one
CID 57288955
alumane;2-methylbut-2-ene
CID 174293100
N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
CID 89138735
ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 15438220
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
5-methyl-3-oxo-2-propan-2-ylidenehex-4-enal
CID 123567534
4-methyl-2-methylidenepent-3-enal
CID 118287725
ethane;(2Z,5Z,8Z)-5-methyl-4-methylidene-6-(2-methylprop-1-enyl)-7-propan-2-ylidenedeca-2,5,8-triene;propane
CID 144537696
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
2,3,4,5,6-pentamethylocta-2,4,6-triene
CID 59782678
(3E,5E)-5-methyl-4-(2-methylprop-1-enyl)hepta-1,3,5-triene;2-methylprop-1-ene
CID 145084026

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene?
The IUPAC name of 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene (CID 123312378) is 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene?
The canonical SMILES for 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene is CC=C(C)C(C=C(C)C)=C(C)C.
What is the InChIKey of 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene?
The InChIKey is AROLXRGVANLEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7-11(6)12(10(4)5)8-9(2)3/h7-8H,1-6H3.
What are the key properties of 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene?
2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene is sourced from PubChem (CID 123312378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).