1-cyclohexyloxy-4-methylcyclohexa-1,3-diene

C13H20O — CID 163659864

IUPAC1-cyclohexyloxy-4-methylcyclohexa-1,3-diene
SMILESCC1=CC=C(OC2CCCCC2)CC1
InChIInChI=1S/C13H20O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3
InChIKeyITLWNMSCAIPTML-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.96
Rot. Bonds2

About 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene

1-cyclohexyloxy-4-methylcyclohexa-1,3-diene (PubChem CID 163659864) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexyloxy-4-methylcyclohexa-1,3-diene
PubChem CID163659864
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-cyclohexyloxy-4-methylcyclohexa-1,3-diene
SMILESCC1=CC=C(OC2CCCCC2)CC1
InChIInChI=1S/C13H20O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3
InChIKeyITLWNMSCAIPTML-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
CID 12642148
1-Isopropoxycyclohexene
CID 4366136
2-Methyl-6-pentyl-3,4-dihydro-2h-pyran
CID 85678631
1-Methoxy-3-methylenecyclohexene
CID 137710
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 89189819
(2Z)-4-(fluoromethoxy)-1-methylidene-2-propylidenecyclohexane
CID 117633337
7,8-difluoro-2,6-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 124173859
1-Ethyl-4-(5,5,5-trifluoropentoxy)cyclohexa-1,3-diene
CID 129166872
1-Butoxy-2-fluoro-4-methylcyclohexa-1,3-diene
CID 142207001
5-Fluoro-1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
CID 163707586
1-Methyl-4-octoxycyclohexa-1,3-diene
CID 23223459
1-Methoxy-4-propylcyclohexa-1,3-diene
CID 142143176

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene (CID 163659864) is 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene is CC1=CC=C(OC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene?
The InChIKey is ITLWNMSCAIPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3.
What are the key properties of 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene?
1-cyclohexyloxy-4-methylcyclohexa-1,3-diene has a molecular weight of 192.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163659864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).