1,2,3,4,5-pentamethylcycloocta-1,3-diene

C13H22 — CID 175510091

IUPAC1,2,3,4,5-pentamethylcycloocta-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)CCC1
InChIInChI=1S/C13H22/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h9H,6-8H2,1-5H3
InChIKeyMLKWFXQXFXNFAK-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds

About 1,2,3,4,5-pentamethylcycloocta-1,3-diene

1,2,3,4,5-pentamethylcycloocta-1,3-diene (PubChem CID 175510091) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylcycloocta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylcycloocta-1,3-diene
PubChem CID175510091
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2,3,4,5-pentamethylcycloocta-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)CCC1
InChIInChI=1S/C13H22/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h9H,6-8H2,1-5H3
InChIKeyMLKWFXQXFXNFAK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,4,5-pentamethylcyclohexa-1,3-diene
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N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983
1,2,3,6-tetramethylcyclohexene
CID 21243938
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
CID 143063433
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
CID 134992735
1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene
CID 171800450
1-cyclopropylidene-2-methylcyclopentane
CID 154517244

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylcycloocta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentamethylcycloocta-1,3-diene (CID 175510091) is 1,2,3,4,5-pentamethylcycloocta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentamethylcycloocta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentamethylcycloocta-1,3-diene is CC1=C(C)C(C)=C(C)C(C)CCC1.
What is the InChIKey of 1,2,3,4,5-pentamethylcycloocta-1,3-diene?
The InChIKey is MLKWFXQXFXNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h9H,6-8H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethylcycloocta-1,3-diene?
1,2,3,4,5-pentamethylcycloocta-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylcycloocta-1,3-diene is sourced from PubChem (CID 175510091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).