spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]

C14H18O2 — CID 10560784

IUPACspiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
SMILESc1ccc2c(c1)COC1(CCCCC1)OC2
InChIInChI=1S/C14H18O2/c1-4-8-14(9-5-1)15-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7H,1,4-5,8-11H2
InChIKeyDOMDJQVUDCVBGY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.39
Rot. Bonds

About spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]

spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane] (PubChem CID 10560784) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
PubChem CID10560784
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namespiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
SMILESc1ccc2c(c1)COC1(CCCCC1)OC2
InChIInChI=1S/C14H18O2/c1-4-8-14(9-5-1)15-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7H,1,4-5,8-11H2
InChIKeyDOMDJQVUDCVBGY-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Diethoxymethyl)benzene
CID 69884
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840
4-Methyl-4-phenyl-1,3-dioxane
CID 92875
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
1,1-Dibenzyloxy-2-phenylethane
CID 95980
1,3-Dimethoxyphthalan
CID 11629690
1,1'-(Dimethoxymethylene)bisbenzene
CID 75228
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
Benzene, (triethoxymethyl)-
CID 74268
Dibenzyl carbonate
CID 77002
Benzene, (1,1-dimethoxyethyl)-
CID 78008

Frequently Asked Questions

What is the IUPAC name of spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]?
The IUPAC name of spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane] (CID 10560784) is spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane].
What is the SMILES notation for spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]?
The canonical SMILES for spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane] is c1ccc2c(c1)COC1(CCCCC1)OC2.
What is the InChIKey of spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]?
The InChIKey is DOMDJQVUDCVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-8-14(9-5-1)15-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]?
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane] has a molecular weight of 218.30 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane] is sourced from PubChem (CID 10560784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).