1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene

C13H18O — CID 143703223

IUPAC1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene
SMILESCC1CCC=C(OC2=CC=CCC2)C1
InChIInChI=1S/C13H18O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-3,7,9,11H,4-6,8,10H2,1H3
InChIKeyXTEMLGWDXZRAJW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.94
Rot. Bonds2

About 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene

1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene (PubChem CID 143703223) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene
PubChem CID143703223
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene
SMILESCC1CCC=C(OC2=CC=CCC2)C1
InChIInChI=1S/C13H18O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-3,7,9,11H,4-6,8,10H2,1H3
InChIKeyXTEMLGWDXZRAJW-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexa-1,3-dien-1-yloxybenzene
CID 19734973
1,5-dimethylcyclohexene
CID 520362
(4-cyclohexa-1,3-dien-1-yloxycyclohexa-2,4-dien-1-yl)boronic acid
CID 123394246
4-cyclohexa-1,3-dien-1-yloxyaniline
CID 129019348
(5S)-5-methylcyclohexen-1-amine
CID 163541060
cyclohexa-1,3-dien-1-yl N,N-di(propan-2-yl)carbamate
CID 132505945
cyclohexa-1,3-dien-1-yl 2,2-dimethylpropanoate
CID 159378750
(5-methylcyclohexen-1-yl)benzene
CID 56998306
1-ethenyl-5-methylcyclohexene
CID 13382650
(5R)-5-methylcyclohexene-1-carbaldehyde
CID 54558151
(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene?
The IUPAC name of 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene (CID 143703223) is 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene.
What is the SMILES notation for 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene?
The canonical SMILES for 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene is CC1CCC=C(OC2=CC=CCC2)C1.
What is the InChIKey of 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene?
The InChIKey is XTEMLGWDXZRAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-3,7,9,11H,4-6,8,10H2,1H3.
What are the key properties of 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene?
1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene has a molecular weight of 190.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohexen-1-yl)oxycyclohexa-1,3-diene is sourced from PubChem (CID 143703223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).