spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]

C14H22O — CID 139263903

IUPACspiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]
SMILESC1=C2OCC3(CCCCC3)CC2CCC1
InChIInChI=1S/C14H22O/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)15-11-14/h7,12H,1-6,8-11H2
InChIKeySDKHUCDMZWQXMM-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.04
Rot. Bonds

About spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]

spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane] (PubChem CID 139263903) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane].

Molecular Properties

Compound Namespiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]
PubChem CID139263903
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namespiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]
SMILESC1=C2OCC3(CCCCC3)CC2CCC1
InChIInChI=1S/C14H22O/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)15-11-14/h7,12H,1-6,8-11H2
InChIKeySDKHUCDMZWQXMM-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]?
The IUPAC name of spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane] (CID 139263903) is spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane].
What is the SMILES notation for spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]?
The canonical SMILES for spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane] is C1=C2OCC3(CCCCC3)CC2CCC1.
What is the InChIKey of spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]?
The InChIKey is SDKHUCDMZWQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)15-11-14/h7,12H,1-6,8-11H2.
What are the key properties of spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane]?
spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane] has a molecular weight of 206.33 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4,4a,5,6,7-hexahydrochromene-3,1'-cyclohexane] is sourced from PubChem (CID 139263903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).