(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]

C19H28O5 — CID 44550087

IUPAC(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]
SMILESC=C1O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12
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-/m1/s1
InChIKeyFETJTMORJRZAGO-QBPKDAKJSA-N
MW336.43 g/mol
LogP3.42
Rot. Bonds1

About (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]

(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] (PubChem CID 44550087) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID44550087
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name(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]
SMILESC=C1O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12
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-/m1/s1
InChIKeyFETJTMORJRZAGO-QBPKDAKJSA-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 (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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is C=C1O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of (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]?
The InChIKey is FETJTMORJRZAGO-QBPKDAKJSA-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-/m1/s1.
What are the key properties of (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]?
(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] 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 (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] is sourced from PubChem (CID 44550087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).