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

C15H20O — CID 86182652

IUPACspiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
SMILESc1ccc2c(c1)CCOC1(CCCCC1)C2
InChIInChI=1S/C15H20O/c1-4-9-15(10-5-1)12-14-7-3-2-6-13(14)8-11-16-15/h2-3,6-7H,1,4-5,8-12H2
InChIKeyGLIHMLDAGVPISE-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.50
Rot. Bonds

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

spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane] (PubChem CID 86182652) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane].

Molecular Properties

Compound Namespiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
PubChem CID86182652
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Namespiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
SMILESc1ccc2c(c1)CCOC1(CCCCC1)C2
InChIInChI=1S/C15H20O/c1-4-9-15(10-5-1)12-14-7-3-2-6-13(14)8-11-16-15/h2-3,6-7H,1,4-5,8-12H2
InChIKeyGLIHMLDAGVPISE-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
CID 65122348
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 142283435
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
CID 2752895
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
CID 10560784
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653
1-oxaspiro[4.5]decane;2-phenylacetamide
CID 21117982
5-oxaspiro[3.5]nonan-2-one
CID 171035049

Frequently Asked Questions

What is the IUPAC name of spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]?
The IUPAC name of spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane] (CID 86182652) is spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane].
What is the SMILES notation for spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]?
The canonical SMILES for spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane] is c1ccc2c(c1)CCOC1(CCCCC1)C2.
What is the InChIKey of spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]?
The InChIKey is GLIHMLDAGVPISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-9-15(10-5-1)12-14-7-3-2-6-13(14)8-11-16-15/h2-3,6-7H,1,4-5,8-12H2.
What are the key properties of spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]?
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane] has a molecular weight of 216.32 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane] is sourced from PubChem (CID 86182652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).