ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene

C20H38 — CID 167536251

IUPACethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
SMILESCC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)CC1
InChIInChI=1S/C18H32.C2H6/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;1-2/h11-14H,9-10H2,1-8H3;1-2H3
InChIKeyAPGZDBNSSANTQR-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.02
Rot. Bonds4

About ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene

ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene (PubChem CID 167536251) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
PubChem CID167536251
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Nameethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
SMILESCC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)CC1
InChIInChI=1S/C18H32.C2H6/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;1-2/h11-14H,9-10H2,1-8H3;1-2H3
InChIKeyAPGZDBNSSANTQR-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-di(propan-2-yl)cyclopent-2-en-1-one
CID 18551295
ethane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 158337584
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 164990673
ethane;methane;2-methylpropane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 167638012
ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine
CID 158001921
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
CID 100954217
CID 100954217
4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
CID 146506417
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
2,3,5-tri(propan-2-yl)cyclohex-2-en-1-one
CID 171770113
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene (CID 167536251) is ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene is CC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)CC1.
What is the InChIKey of ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene?
The InChIKey is APGZDBNSSANTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32.C2H6/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;1-2/h11-14H,9-10H2,1-8H3;1-2H3.
What are the key properties of ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene?
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene has a molecular weight of 278.52 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 167536251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).