5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene

C20H28 — CID 142515832

IUPAC5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
SMILESC=C(C1=CC=CC(C(C)CC)C1C)C1=C(C)CCC=C1
InChIInChI=1S/C20H28/c1-6-14(2)18-12-9-13-20(16(18)4)17(5)19-11-8-7-10-15(19)3/h8-9,11-14,16,18H,5-7,10H2,1-4H3
InChIKeyAEZBJQLJQRVBMV-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.00
Rot. Bonds4

About 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene

5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene (PubChem CID 142515832) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
PubChem CID142515832
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
SMILESC=C(C1=CC=CC(C(C)CC)C1C)C1=C(C)CCC=C1
InChIInChI=1S/C20H28/c1-6-14(2)18-12-9-13-20(16(18)4)17(5)19-11-8-7-10-15(19)3/h8-9,11-14,16,18H,5-7,10H2,1-4H3
InChIKeyAEZBJQLJQRVBMV-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-butan-2-yl-3-methylcyclohepta-1,3,5-triene
CID 123535959
2-[1-(2-methylcyclohexa-1,5-dien-1-yl)propylsulfanyl]ethanol
CID 148667532
6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
CID 118141061
(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide
CID 138613045
ethyl 5-(2-methylcyclohexa-1,5-dien-1-yl)-3-oxohexanoate
CID 70890296
2-methylbutane;1-[1-(6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
CID 163298369
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
5-ethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 142452108
5,6-dimethyl-1-(3-methyl-2-prop-1-en-2-ylpentyl)cyclohexa-1,3-diene
CID 91097512
N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide
CID 163618944

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The IUPAC name of 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene (CID 142515832) is 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene is C=C(C1=CC=CC(C(C)CC)C1C)C1=C(C)CCC=C1.
What is the InChIKey of 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The InChIKey is AEZBJQLJQRVBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-6-14(2)18-12-9-13-20(16(18)4)17(5)19-11-8-7-10-15(19)3/h8-9,11-14,16,18H,5-7,10H2,1-4H3.
What are the key properties of 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene has a molecular weight of 268.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-methyl-1-[1-(2-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 142515832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).