1-(3-methylhepta-1,2-dienyl)naphthalene

C18H20 — CID 11770476

IUPAC1-(3-methylhepta-1,2-dienyl)naphthalene
SMILESCCCCC(C)=C=Cc1cccc2ccccc12
InChIInChI=1S/C18H20/c1-3-4-8-15(2)13-14-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12,14H,3-4,8H2,1-2H3
InChIKeyMXOASWGSHDRGIU-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.59
Rot. Bonds4

About 1-(3-methylhepta-1,2-dienyl)naphthalene

1-(3-methylhepta-1,2-dienyl)naphthalene (PubChem CID 11770476) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methylhepta-1,2-dienyl)naphthalene.

Molecular Properties

Compound Name1-(3-methylhepta-1,2-dienyl)naphthalene
PubChem CID11770476
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(3-methylhepta-1,2-dienyl)naphthalene
SMILESCCCCC(C)=C=Cc1cccc2ccccc12
InChIInChI=1S/C18H20/c1-3-4-8-15(2)13-14-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12,14H,3-4,8H2,1-2H3
InChIKeyMXOASWGSHDRGIU-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhepta-1,2-dienyl)naphthalene?
The IUPAC name of 1-(3-methylhepta-1,2-dienyl)naphthalene (CID 11770476) is 1-(3-methylhepta-1,2-dienyl)naphthalene.
What is the SMILES notation for 1-(3-methylhepta-1,2-dienyl)naphthalene?
The canonical SMILES for 1-(3-methylhepta-1,2-dienyl)naphthalene is CCCCC(C)=C=Cc1cccc2ccccc12.
What is the InChIKey of 1-(3-methylhepta-1,2-dienyl)naphthalene?
The InChIKey is MXOASWGSHDRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-4-8-15(2)13-14-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12,14H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-methylhepta-1,2-dienyl)naphthalene?
1-(3-methylhepta-1,2-dienyl)naphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhepta-1,2-dienyl)naphthalene is sourced from PubChem (CID 11770476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).