3-methylidenehepta-1,5-dienylbenzene

C14H16 — CID 90998971

IUPAC3-methylidenehepta-1,5-dienylbenzene
SMILESC=C(C=Cc1ccccc1)CC=CC
InChIInChI=1S/C14H16/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h3-7,9-12H,2,8H2,1H3
InChIKeyVRMDVGFHXXSMHC-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.22
Rot. Bonds4

About 3-methylidenehepta-1,5-dienylbenzene

3-methylidenehepta-1,5-dienylbenzene (PubChem CID 90998971) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methylidenehepta-1,5-dienylbenzene.

Molecular Properties

Compound Name3-methylidenehepta-1,5-dienylbenzene
PubChem CID90998971
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name3-methylidenehepta-1,5-dienylbenzene
SMILESC=C(C=Cc1ccccc1)CC=CC
InChIInChI=1S/C14H16/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h3-7,9-12H,2,8H2,1H3
InChIKeyVRMDVGFHXXSMHC-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.22
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

3-methylidenehexa-1,5-dienylbenzene
CID 91462771
ethyl (2Z,4E,8E)-3-methyl-7-methylidene-9-phenylnona-2,4,8-trienoate
CID 101156784
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
CID 102489190
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol
CID 143204577
dimethyl-[(E)-2-methylidene-4-phenylbut-3-enyl]-propan-2-yloxysilane
CID 10515523
[(E)-5-methylidene-7-phenylhept-6-enyl] acetate
CID 102460248
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehepta-1,5-dienylbenzene?
The IUPAC name of 3-methylidenehepta-1,5-dienylbenzene (CID 90998971) is 3-methylidenehepta-1,5-dienylbenzene.
What is the SMILES notation for 3-methylidenehepta-1,5-dienylbenzene?
The canonical SMILES for 3-methylidenehepta-1,5-dienylbenzene is C=C(C=Cc1ccccc1)CC=CC.
What is the InChIKey of 3-methylidenehepta-1,5-dienylbenzene?
The InChIKey is VRMDVGFHXXSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 3-methylidenehepta-1,5-dienylbenzene?
3-methylidenehepta-1,5-dienylbenzene has a molecular weight of 184.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehepta-1,5-dienylbenzene is sourced from PubChem (CID 90998971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).