7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C18H28 — CID 170588357

IUPAC7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC1CCc2c(C(C)C)cccc2C(C(C)C)C1
InChIInChI=1S/C18H28/c1-12(2)15-7-6-8-16-17(15)10-9-14(5)11-18(16)13(3)4/h6-8,12-14,18H,9-11H2,1-5H3
InChIKeyMGUOFQCITCJSFM-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.52
Rot. Bonds2

About 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 170588357) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID170588357
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC1CCc2c(C(C)C)cccc2C(C(C)C)C1
InChIInChI=1S/C18H28/c1-12(2)15-7-6-8-16-17(15)10-9-14(5)11-18(16)13(3)4/h6-8,12-14,18H,9-11H2,1-5H3
InChIKeyMGUOFQCITCJSFM-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 171086700
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 144627105
1-chloro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 171768970
(3aR,9bR)-3a-methyl-6-propan-2-yl-1,2,3,4,5,9b-hexahydrobenzo[e]isoindole
CID 46909527
(3aS,9bS)-3a-methyl-6-propan-2-yl-1,2,3,4,5,9b-hexahydrobenzo[e]isoindole
CID 70664700
11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
CID 89312302
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
3a-methyl-6-propan-2-yl-1,2,3,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 70664702
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
1-methyl-8-propan-2-yl-3,4-dihydro-2H-quinolin-4-amine
CID 82276293

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 170588357) is 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CC1CCc2c(C(C)C)cccc2C(C(C)C)C1.
What is the InChIKey of 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is MGUOFQCITCJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-12(2)15-7-6-8-16-17(15)10-9-14(5)11-18(16)13(3)4/h6-8,12-14,18H,9-11H2,1-5H3.
What are the key properties of 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 244.42 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 170588357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).