benzo[7]annulene;propane

C14H16 — CID 143124773

IUPACbenzo[7]annulene;propane
SMILESC1=CC=Cc2ccccc2C=1.CCC
InChIInChI=1S/C11H8.C3H8/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-3-2/h1-2,4-9H;3H2,1-2H3
InChIKeyCVBLHZRWAMXEKE-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.30
Rot. Bonds

About benzo[7]annulene;propane

benzo[7]annulene;propane (PubChem CID 143124773) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is benzo[7]annulene;propane.

Molecular Properties

Compound Namebenzo[7]annulene;propane
PubChem CID143124773
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Namebenzo[7]annulene;propane
SMILESC1=CC=Cc2ccccc2C=1.CCC
InChIInChI=1S/C11H8.C3H8/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-3-2/h1-2,4-9H;3H2,1-2H3
InChIKeyCVBLHZRWAMXEKE-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzo[8]annulene
CID 173075501
CID 101127589
CID 101127589
7-methylbenzo[7]annulene
CID 142045032
ethane;5-methylcyclohepta-1,2,4,6-tetraene;toluene
CID 142426250
benzene;propane;toluene
CID 91053661
propane;toluene
CID 91364516
propane;toluene
CID 91263172
2,3-dimethylcyclohepta[b]pyridine
CID 142190844
cyclohepta[b][1]benzofuran
CID 145276240
cyclohexatriene;ethane;propane;toluene
CID 161133667
2H-chromene;propane
CID 160650237
9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene
CID 123196573

Frequently Asked Questions

What is the IUPAC name of benzo[7]annulene;propane?
The IUPAC name of benzo[7]annulene;propane (CID 143124773) is benzo[7]annulene;propane.
What is the SMILES notation for benzo[7]annulene;propane?
The canonical SMILES for benzo[7]annulene;propane is C1=CC=Cc2ccccc2C=1.CCC.
What is the InChIKey of benzo[7]annulene;propane?
The InChIKey is CVBLHZRWAMXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8.C3H8/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-3-2/h1-2,4-9H;3H2,1-2H3.
What are the key properties of benzo[7]annulene;propane?
benzo[7]annulene;propane has a molecular weight of 184.28 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[7]annulene;propane is sourced from PubChem (CID 143124773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).