6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene

C12H18O2 — CID 57165916

IUPAC6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene
SMILESCOC1=CCC=CC1OC1CCCC1
InChIInChI=1S/C12H18O2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyLBJAAKCREDBLSZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.80
Rot. Bonds3

About 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene

6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene (PubChem CID 57165916) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene
PubChem CID57165916
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene
SMILESCOC1=CCC=CC1OC1CCCC1
InChIInChI=1S/C12H18O2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyLBJAAKCREDBLSZ-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexene;cyclohexyloxycyclohexane
CID 174935806
(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene
CID 143334685
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
1-methoxy-5,6-dimethylcyclohexene
CID 129151578
1,5-dimethoxy-6-(3-methylbutyl)cyclohexa-1,4-diene
CID 67019293
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
CID 97108565
azane;methoxycyclopentane
CID 70270429
methoxycyclopentane;dihydrate
CID 159895201
methoxycyclooctane
CID 551195
CID 173424592
CID 173424592

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene?
The IUPAC name of 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene (CID 57165916) is 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene.
What is the SMILES notation for 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene?
The canonical SMILES for 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene is COC1=CCC=CC1OC1CCCC1.
What is the InChIKey of 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene?
The InChIKey is LBJAAKCREDBLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene?
6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene has a molecular weight of 194.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene is sourced from PubChem (CID 57165916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).