1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene

C16H22 — CID 123323176

IUPAC1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCC1=CC=C(CCC2=CC=C(C)CC2)CC1
InChIInChI=1S/C16H22/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3,5,7,9H,4,6,8,10-12H2,1-2H3
InChIKeyWOBJWTUAAAQZCH-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.10
Rot. Bonds3

About 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene

1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene (PubChem CID 123323176) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
PubChem CID123323176
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCC1=CC=C(CCC2=CC=C(C)CC2)CC1
InChIInChI=1S/C16H22/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3,5,7,9H,4,6,8,10-12H2,1-2H3
InChIKeyWOBJWTUAAAQZCH-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142067704
CID 142144499
CID 142144499
ethane;1-(5-methoxypentyl)-4-methylcyclohexa-1,3-diene
CID 143283081
(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 91539939
N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]propan-1-amine
CID 123995731
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
N-ethyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
CID 91419572
3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine
CID 129208709
4-methyl-2-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,1-diol
CID 123837997
4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2,4-triazole
CID 143130125
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene (CID 123323176) is 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene is CC1=CC=C(CCC2=CC=C(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The InChIKey is WOBJWTUAAAQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3,5,7,9H,4,6,8,10-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 123323176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).