6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]

C19H28O5 — CID 135078573

IUPAC6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]
SMILESC=C1OC([C@@H]2COC3(CCCCC3)O2)C2OC3(CCCCC3)OC12
InChIInChI=1S/C19H28O5/c1-13-15-17(24-19(23-15)10-6-3-7-11-19)16(21-13)14-12-20-18(22-14)8-4-2-5-9-18/h14-17H,1-12H2/t14-,15?,16?,17?/m0/s1
InChIKeyFETJTMORJRZAGO-HERJZLIOSA-N
MW336.43 g/mol
LogP3.42
Rot. Bonds1

About 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]

6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 135078573) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID135078573
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]
SMILESC=C1OC([C@@H]2COC3(CCCCC3)O2)C2OC3(CCCCC3)OC12
InChIInChI=1S/C19H28O5/c1-13-15-17(24-19(23-15)10-6-3-7-11-19)16(21-13)14-12-20-18(22-14)8-4-2-5-9-18/h14-17H,1-12H2/t14-,15?,16?,17?/m0/s1
InChIKeyFETJTMORJRZAGO-HERJZLIOSA-N
XLogP3.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] with MolForge

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Related Compounds

(4R)-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane
CID 15638067
(6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 134830772
(3aS,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 134882971
CID 134998622
CID 134998622
2,2,2',2'-Tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]
CID 139663576
(3aS,4Z,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(iodomethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 11953563
(3aS,4Z,6R,6aS)-4-(bromomethylidene)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 11953578
(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 15089497
(3aS,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 44550087
CID 44550197
CID 44550197
(3aS,4E,6R,6aS)-4-(bromomethylidene)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 46845473
(3aR,5S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-methylidenespiro[3a,6a-dihydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 101250828

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] (CID 135078573) is 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] is C=C1OC([C@@H]2COC3(CCCCC3)O2)C2OC3(CCCCC3)OC12.
What is the InChIKey of 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is FETJTMORJRZAGO-HERJZLIOSA-N. The full InChI is InChI=1S/C19H28O5/c1-13-15-17(24-19(23-15)10-6-3-7-11-19)16(21-13)14-12-20-18(22-14)8-4-2-5-9-18/h14-17H,1-12H2/t14-,15?,16?,17?/m0/s1.
What are the key properties of 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 336.43 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 135078573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).