10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene

C18H24 — CID 163688511

IUPAC10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene
SMILESC=C1C=CCC(C)C(CCCC)c2ccccc21
InChIInChI=1S/C18H24/c1-4-5-11-16-14(2)9-8-10-15(3)17-12-6-7-13-18(16)17/h6-8,10,12-14,16H,3-5,9,11H2,1-2H3
InChIKeyJQZFTLUQPRHQAJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.57
Rot. Bonds3

About 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene

10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene (PubChem CID 163688511) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene.

Molecular Properties

Compound Name10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene
PubChem CID163688511
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene
SMILESC=C1C=CCC(C)C(CCCC)c2ccccc21
InChIInChI=1S/C18H24/c1-4-5-11-16-14(2)9-8-10-15(3)17-12-6-7-13-18(16)17/h6-8,10,12-14,16H,3-5,9,11H2,1-2H3
InChIKeyJQZFTLUQPRHQAJ-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene?
The IUPAC name of 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene (CID 163688511) is 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene.
What is the SMILES notation for 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene?
The canonical SMILES for 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene is C=C1C=CCC(C)C(CCCC)c2ccccc21.
What is the InChIKey of 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene?
The InChIKey is JQZFTLUQPRHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-4-5-11-16-14(2)9-8-10-15(3)17-12-6-7-13-18(16)17/h6-8,10,12-14,16H,3-5,9,11H2,1-2H3.
What are the key properties of 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene?
10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene has a molecular weight of 240.39 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene is sourced from PubChem (CID 163688511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).