2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene

C12H18 — CID 162498864

IUPAC2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)C(=C)C(=C)C
InChIInChI=1S/C12H18/c1-6-8-12(9-7-2)11(5)10(3)4/h6-7,12H,1-3,5,8-9H2,4H3
InChIKeySKANIWNJFNSACD-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.89
Rot. Bonds6

About 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene

2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene (PubChem CID 162498864) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
PubChem CID162498864
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)C(=C)C(=C)C
InChIInChI=1S/C12H18/c1-6-8-12(9-7-2)11(5)10(3)4/h6-7,12H,1-3,5,8-9H2,4H3
InChIKeySKANIWNJFNSACD-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-prop-2-enylhexa-1,5-dien-2-ylsilane
CID 173001992
3-ethylhex-5-en-2-one
CID 58995117
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
3-propylhex-5-en-2-one
CID 87772070
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
2-methylidene-3-[(2-methyloxiran-2-yl)methyl]hex-5-enoic acid
CID 23506355
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
hepta-1,5-dien-4-yl 2-methylprop-2-enoate
CID 54100239
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358
3-(hydroxymethyl)-2-methylidenehex-5-enal
CID 87687760
2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
CID 23173905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene (CID 162498864) is 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene is C=CCC(CC=C)C(=C)C(=C)C.
What is the InChIKey of 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene?
The InChIKey is SKANIWNJFNSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-6-8-12(9-7-2)11(5)10(3)4/h6-7,12H,1-3,5,8-9H2,4H3.
What are the key properties of 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene?
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene has a molecular weight of 162.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 162498864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).