5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

C14H20 — CID 123902879

IUPAC5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCC1CCCc2ccccc2C(C)C1
InChIInChI=1S/C14H20/c1-11-6-5-8-13-7-3-4-9-14(13)12(2)10-11/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3
InChIKeyCOLSUTYHYDIQEW-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds

About 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (PubChem CID 123902879) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.

Molecular Properties

Compound Name5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
PubChem CID123902879
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCC1CCCc2ccccc2C(C)C1
InChIInChI=1S/C14H20/c1-11-6-5-8-13-7-3-4-9-14(13)12(2)10-11/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3
InChIKeyCOLSUTYHYDIQEW-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159773776
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 142292877
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63994320
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
CID 65407814

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The IUPAC name of 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (CID 123902879) is 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.
What is the SMILES notation for 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The canonical SMILES for 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is CC1CCCc2ccccc2C(C)C1.
What is the InChIKey of 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The InChIKey is COLSUTYHYDIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-11-6-5-8-13-7-3-4-9-14(13)12(2)10-11/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene has a molecular weight of 188.31 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is sourced from PubChem (CID 123902879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).