7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene

C12H16 — CID 13057529

IUPAC7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
SMILESCC1=CCC2=C(C=C1)CCCC2
InChIInChI=1S/C12H16/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h6-8H,2-5,9H2,1H3
InChIKeyPZUPYEVPXFKMMD-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.76
Rot. Bonds

About 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene

7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene (PubChem CID 13057529) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene.

Molecular Properties

Compound Name7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
PubChem CID13057529
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
SMILESCC1=CCC2=C(C=C1)CCCC2
InChIInChI=1S/C12H16/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h6-8H,2-5,9H2,1H3
InChIKeyPZUPYEVPXFKMMD-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 161433387
2,3-dihydro-1H-indene;4,5,6,7-tetrahydro-1H-indene
CID 144525193
1,2,3,4,5,7-hexahydrobenzo[7]annulen-6-one
CID 121218577
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962
[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
CID 134408168
5-ethylidene-2-methylcyclohexa-1,3-diene
CID 136594960
(5Z,7Z)-4-methylidenebicyclo[8.2.0]dodeca-1(10),2,5,7-tetraene
CID 174278772
N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine
CID 173329633
ethane;1,2,3,4,5,8-hexahydroheptalene
CID 143157913
7-methyl-1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one;toluene
CID 143862250
ethane;2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 177053758

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene?
The IUPAC name of 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene (CID 13057529) is 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene.
What is the SMILES notation for 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene?
The canonical SMILES for 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene is CC1=CCC2=C(C=C1)CCCC2.
What is the InChIKey of 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene?
The InChIKey is PZUPYEVPXFKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h6-8H,2-5,9H2,1H3.
What are the key properties of 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene?
7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene has a molecular weight of 160.26 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene is sourced from PubChem (CID 13057529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).