7-methyl-3-methylideneocta-1,6-diene

C40H64 — CID 173118544

IUPAC7-methyl-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C
InChIInChI=1S/4C10H16/c4*1-5-10(4)8-6-7-9(2)3/h4*5,7H,1,4,6,8H2,2-3H3
InChIKeyMQZMFLKKFCQNKI-UHFFFAOYSA-N
MW544.95 g/mol
LogP13.90
Rot. Bonds16

About 7-methyl-3-methylideneocta-1,6-diene

7-methyl-3-methylideneocta-1,6-diene (PubChem CID 173118544) has the molecular formula C40H64 and a molecular weight of 544.95 g/mol. Its IUPAC name is 7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name7-methyl-3-methylideneocta-1,6-diene
PubChem CID173118544
Molecular FormulaC40H64
Molecular Weight544.95 g/mol
Exact Mass544.50
IUPAC Name7-methyl-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C
InChIInChI=1S/4C10H16/c4*1-5-10(4)8-6-7-9(2)3/h4*5,7H,1,4,6,8H2,2-3H3
InChIKeyMQZMFLKKFCQNKI-UHFFFAOYSA-N
XLogP13.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.95
LogP ≤ 513.90
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'}

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Related Compounds

7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
7-methyl-3-methylideneocta-1,6-diene-1-thione
CID 175121467
3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene
CID 159612326
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 7-methyl-3-methylideneocta-1,6-diene (CID 173118544) is 7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 7-methyl-3-methylideneocta-1,6-diene is C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.C=CC(=C)CCC=C(C)C.
What is the InChIKey of 7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is MQZMFLKKFCQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H16/c4*1-5-10(4)8-6-7-9(2)3/h4*5,7H,1,4,6,8H2,2-3H3.
What are the key properties of 7-methyl-3-methylideneocta-1,6-diene?
7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 544.95 g/mol, XLogP of 13.90, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 173118544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).