(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane

C13H20O — CID 142510870

IUPAC(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane
SMILESC=CC1=CC(COC2CCCCC2)C1
InChIInChI=1S/C13H20O/c1-2-11-8-12(9-11)10-14-13-6-4-3-5-7-13/h2,8,12-13H,1,3-7,9-10H2
InChIKeyOLVWDPHSMQSSHT-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.47
Rot. Bonds4

About (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane

(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane (PubChem CID 142510870) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane.

Molecular Properties

Compound Name(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane
PubChem CID142510870
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane
SMILESC=CC1=CC(COC2CCCCC2)C1
InChIInChI=1S/C13H20O/c1-2-11-8-12(9-11)10-14-13-6-4-3-5-7-13/h2,8,12-13H,1,3-7,9-10H2
InChIKeyOLVWDPHSMQSSHT-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
1-ethenyl-5-(methoxymethoxy)cyclohexene
CID 101021221
2-bromoprop-2-enoxycycloheptane
CID 88586401
1-ethenyl-5-methylcyclohexene
CID 13382650
1-(2-cyclohexyloxyethoxy)-4-ethenylbenzene;4-ethenylphenol
CID 157201478
2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
ethoxycyclooctane
CID 13427982
cyclooctyloxymethylsilane
CID 157063356
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
CID 89174398
(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
CID 100956681
2-(cyclohexyloxymethyl)piperidine
CID 24699703

Frequently Asked Questions

What is the IUPAC name of (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane?
The IUPAC name of (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane (CID 142510870) is (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane.
What is the SMILES notation for (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane?
The canonical SMILES for (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane is C=CC1=CC(COC2CCCCC2)C1.
What is the InChIKey of (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane?
The InChIKey is OLVWDPHSMQSSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-11-8-12(9-11)10-14-13-6-4-3-5-7-13/h2,8,12-13H,1,3-7,9-10H2.
What are the key properties of (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane?
(3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane has a molecular weight of 192.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylcyclobut-2-en-1-yl)methoxycyclohexane is sourced from PubChem (CID 142510870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).