5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene

C25H30 — CID 173113290

IUPAC5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene
SMILESC=Cc1ccccc1.CC1CC1=C1CCCCCCc2ccccc21
InChIInChI=1S/C17H22.C8H8/c1-13-12-17(13)16-11-5-3-2-4-8-14-9-6-7-10-15(14)16;1-2-8-6-4-3-5-7-8/h6-7,9-10,13H,2-5,8,11-12H2,1H3;2-7H,1H2
InChIKeyJXMJFGUCTJYVNJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.32
Rot. Bonds1

About 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene

5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene (PubChem CID 173113290) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene.

Molecular Properties

Compound Name5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene
PubChem CID173113290
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene
SMILESC=Cc1ccccc1.CC1CC1=C1CCCCCCc2ccccc21
InChIInChI=1S/C17H22.C8H8/c1-13-12-17(13)16-11-5-3-2-4-8-14-9-6-7-10-15(14)16;1-2-8-6-4-3-5-7-8/h6-7,9-10,13H,2-5,8,11-12H2,1H3;2-7H,1H2
InChIKeyJXMJFGUCTJYVNJ-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene?
The IUPAC name of 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene (CID 173113290) is 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene.
What is the SMILES notation for 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene?
The canonical SMILES for 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene is C=Cc1ccccc1.CC1CC1=C1CCCCCCc2ccccc21.
What is the InChIKey of 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene?
The InChIKey is JXMJFGUCTJYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C8H8/c1-13-12-17(13)16-11-5-3-2-4-8-14-9-6-7-10-15(14)16;1-2-8-6-4-3-5-7-8/h6-7,9-10,13H,2-5,8,11-12H2,1H3;2-7H,1H2.
What are the key properties of 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene?
5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene has a molecular weight of 330.52 g/mol, XLogP of 7.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopropylidene)-6,7,8,9,10,11-hexahydrobenzo[9]annulene;styrene is sourced from PubChem (CID 173113290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).