1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene

C12H18 — CID 145498345

IUPAC1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
SMILESCC1=C(/C=C\C(C)C)C=CCC1
InChIInChI=1S/C12H18/c1-10(2)8-9-12-7-5-4-6-11(12)3/h5,7-10H,4,6H2,1-3H3/b9-8-
InChIKeyHONYAWVCDLJKDW-HJWRWDBZSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene

1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene (PubChem CID 145498345) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
PubChem CID145498345
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
SMILESCC1=C(/C=C\C(C)C)C=CCC1
InChIInChI=1S/C12H18/c1-10(2)8-9-12-7-5-4-6-11(12)3/h5,7-10H,4,6H2,1-3H3/b9-8-
InChIKeyHONYAWVCDLJKDW-HJWRWDBZSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-3-(2-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 144659223
2-methylcyclohexa-1,5-diene-1-carbonitrile
CID 14111350
N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 174117673
1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
CID 123373776
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
CID 170111088
1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
2-[1-(2-methylcyclohexa-1,5-dien-1-yl)propylsulfanyl]ethanol
CID 148667532
(3Z,5E)-5-[(2-methylcyclohexa-1,5-dien-1-yl)amino]hepta-3,5-diene-2-thione
CID 155417044

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene (CID 145498345) is 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene is CC1=C(/C=C\C(C)C)C=CCC1.
What is the InChIKey of 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene?
The InChIKey is HONYAWVCDLJKDW-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H18/c1-10(2)8-9-12-7-5-4-6-11(12)3/h5,7-10H,4,6H2,1-3H3/b9-8-.
What are the key properties of 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene?
1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 145498345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).