spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]

C11H18O3 — CID 172725253

IUPACspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
SMILESC1CCC2(CC1)OC1CCOCC1O2
InChIInChI=1S/C11H18O3/c1-2-5-11(6-3-1)13-9-4-7-12-8-10(9)14-11/h9-10H,1-8H2
InChIKeyHBDVMXIFVOPRSJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.85
Rot. Bonds

About spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]

spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] (PubChem CID 172725253) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
PubChem CID172725253
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namespiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
SMILESC1CCC2(CC1)OC1CCOCC1O2
InChIInChI=1S/C11H18O3/c1-2-5-11(6-3-1)13-9-4-7-12-8-10(9)14-11/h9-10H,1-8H2
InChIKeyHBDVMXIFVOPRSJ-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] with MolForge

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Related Compounds

(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
7-ethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 59103792
2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
CID 10443702
(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
CID 154992073
(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 59103840
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 146474205
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
(3aS,4R,5R,6R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6-triol
CID 102213371
(3S)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2-dimethyl-1,2-oxazolidin-2-ium
CID 139206681
spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol
CID 91184436
CID 131971311
CID 131971311

Frequently Asked Questions

What is the IUPAC name of spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The IUPAC name of spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] (CID 172725253) is spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane].
What is the SMILES notation for spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The canonical SMILES for spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] is C1CCC2(CC1)OC1CCOCC1O2.
What is the InChIKey of spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The InChIKey is HBDVMXIFVOPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-5-11(6-3-1)13-9-4-7-12-8-10(9)14-11/h9-10H,1-8H2.
What are the key properties of spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] has a molecular weight of 198.26 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] is sourced from PubChem (CID 172725253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).