3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene

C13H20 — CID 59811849

IUPAC3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
SMILESC=C1C=CC(C(C)C)C(C(C)C)=C1
InChIInChI=1S/C13H20/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h6-10,12H,5H2,1-4H3
InChIKeyMTOMEDHFERCXFR-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.97
Rot. Bonds2

About 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene

3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene (PubChem CID 59811849) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
PubChem CID59811849
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
SMILESC=C1C=CC(C(C)C)C(C(C)C)=C1
InChIInChI=1S/C13H20/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h6-10,12H,5H2,1-4H3
InChIKeyMTOMEDHFERCXFR-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,7-penta(propan-2-yl)cyclohepta-1,3,5-triene
CID 158147204
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
7-chloro-1-propan-2-yl-1H-indene
CID 165097985
7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one
CID 161133588
1,6-dichloro-3-methylidenecyclohexa-1,4-diene
CID 135469084
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
3-methylidene-5-propan-2-ylcyclohexene
CID 149039202
methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 170122533
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
CID 157426220
CID 101068244
CID 101068244

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene?
The IUPAC name of 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene (CID 59811849) is 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene.
What is the SMILES notation for 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene?
The canonical SMILES for 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene is C=C1C=CC(C(C)C)C(C(C)C)=C1.
What is the InChIKey of 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene?
The InChIKey is MTOMEDHFERCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h6-10,12H,5H2,1-4H3.
What are the key properties of 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene?
3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene has a molecular weight of 176.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene is sourced from PubChem (CID 59811849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).