(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene

C13H22 — CID 162785526

IUPAC(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
SMILESCCC1=C(C(C)(C)C)[C@H](C)CC=C1
InChIInChI=1S/C13H22/c1-6-11-9-7-8-10(2)12(11)13(3,4)5/h7,9-10H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyBWYQWIUGAYNUNI-SNVBAGLBSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds1

About (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene

(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene (PubChem CID 162785526) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
PubChem CID162785526
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
SMILESCCC1=C(C(C)(C)C)[C@H](C)CC=C1
InChIInChI=1S/C13H22/c1-6-11-9-7-8-10(2)12(11)13(3,4)5/h7,9-10H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyBWYQWIUGAYNUNI-SNVBAGLBSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
CID 155717721
[(6R)-2-ethyl-6-hydroxycyclohexa-1,3-dien-1-yl]boronic acid
CID 149371853
2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 155115230
(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine
CID 155376000
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
CID 142888173
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
CID 161173679
CID 161173679
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
CID 163953667
5,6-diethyl-2H-telluropyran
CID 173390211
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785

Frequently Asked Questions

What is the IUPAC name of (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene (CID 162785526) is (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene is CCC1=C(C(C)(C)C)[C@H](C)CC=C1.
What is the InChIKey of (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene?
The InChIKey is BWYQWIUGAYNUNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22/c1-6-11-9-7-8-10(2)12(11)13(3,4)5/h7,9-10H,6,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene?
(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 162785526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).