methylcyclotriacontapentadecaene

C31H32 — CID 101240530

IUPACmethylcyclotriacontapentadecaene
SMILESCc1ccccccccccccccccccccccccccccc1
InChIInChI=1S/C31H32/c1-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-31/h2-30H,1H3/b3-2+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12+,15-13+,16-14-,17-15+,18-16+,19-17-,20-18+,21-19+,22-20+,23-21+,24-22-,25-23+,26-24-,27-25+,28-26-,29-27+,30-28+,31-29+,31-30+
InChIKeyIQTYUKLOQFIMTI-BWGGENRZSA-N
MW404.60 g/mol
LogP8.74
Rot. Bonds

About methylcyclotriacontapentadecaene

methylcyclotriacontapentadecaene (PubChem CID 101240530) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is methylcyclotriacontapentadecaene.

Molecular Properties

Compound Namemethylcyclotriacontapentadecaene
PubChem CID101240530
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Namemethylcyclotriacontapentadecaene
SMILESCc1ccccccccccccccccccccccccccccc1
InChIInChI=1S/C31H32/c1-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-31/h2-30H,1H3/b3-2+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12+,15-13+,16-14-,17-15+,18-16+,19-17-,20-18+,21-19+,22-20+,23-21+,24-22-,25-23+,26-24-,27-25+,28-26-,29-27+,30-28+,31-29+,31-30+
InChIKeyIQTYUKLOQFIMTI-BWGGENRZSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 21283935
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Frequently Asked Questions

What is the IUPAC name of methylcyclotriacontapentadecaene?
The IUPAC name of methylcyclotriacontapentadecaene (CID 101240530) is methylcyclotriacontapentadecaene.
What is the SMILES notation for methylcyclotriacontapentadecaene?
The canonical SMILES for methylcyclotriacontapentadecaene is Cc1ccccccccccccccccccccccccccccc1.
What is the InChIKey of methylcyclotriacontapentadecaene?
The InChIKey is IQTYUKLOQFIMTI-BWGGENRZSA-N. The full InChI is InChI=1S/C31H32/c1-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-31/h2-30H,1H3/b3-2+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12+,15-13+,16-14-,17-15+,18-16+,19-17-,20-18+,21-19+,22-20+,23-21+,24-22-,25-23+,26-24-,27-25+,28-26-,29-27+,30-28+,31-29+,31-30+.
What are the key properties of methylcyclotriacontapentadecaene?
methylcyclotriacontapentadecaene has a molecular weight of 404.60 g/mol, XLogP of 8.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclotriacontapentadecaene is sourced from PubChem (CID 101240530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).