6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene

C14H22 — CID 142209321

IUPAC6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1C=C(C2CCC(C)CC2)C=CC1
InChIInChI=1S/C14H22/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3,5,10-13H,4,6-9H2,1-2H3
InChIKeyNIHCOZZHRSWTDE-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds1

About 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene

6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 142209321) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
PubChem CID142209321
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1C=C(C2CCC(C)CC2)C=CC1
InChIInChI=1S/C14H22/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3,5,10-13H,4,6-9H2,1-2H3
InChIKeyNIHCOZZHRSWTDE-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-methylcyclohexa-1,5-dien-1-yl)cyclohexane-1,3-dione
CID 118260590
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene
CID 163936414
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
CID 144902393
(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal
CID 144725591
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene
CID 147729970
2-isocyanato-6-methylcyclohexa-1,3-diene
CID 88918818
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]benzene
CID 23197854
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene (CID 142209321) is 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene is CC1C=C(C2CCC(C)CC2)C=CC1.
What is the InChIKey of 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is NIHCOZZHRSWTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3,5,10-13H,4,6-9H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 190.33 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 6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 142209321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).