CID 70790447

C19H30O5 — CID 70790447

IUPAC—
SMILESC1CCCC2(CC1)O[C@@H]1O[C@@H]3COC4(CCCCCC4)O[C@H]3[C@@H]1O2
InChIInChI=1S/C19H30O5/c1-2-6-10-18(9-5-1)20-13-14-15(22-18)16-17(21-14)24-19(23-16)11-7-3-4-8-12-19/h14-17H,1-13H2/t14-,15-,16+,17+/m1/s1
InChIKeyZORVRHHDHJSKCQ-NCOADZHNSA-N
MW338.44 g/mol
LogP3.64
Rot. Bonds

About CID 70790447

CID 70790447 (PubChem CID 70790447) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol.

Molecular Properties

Compound NameCID 70790447
PubChem CID70790447
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name—
SMILESC1CCCC2(CC1)O[C@@H]1O[C@@H]3COC4(CCCCCC4)O[C@H]3[C@@H]1O2
InChIInChI=1S/C19H30O5/c1-2-6-10-18(9-5-1)20-13-14-15(22-18)16-17(21-14)24-19(23-16)11-7-3-4-8-12-19/h14-17H,1-13H2/t14-,15-,16+,17+/m1/s1
InChIKeyZORVRHHDHJSKCQ-NCOADZHNSA-N
XLogP3.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 70790447 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11898729
(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
(3aR,5S,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-nitrosospiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 122524873
(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 57057318
[(3aS,5R,6S,6aS)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] acetate
CID 95796264
(3aS,5R,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-propoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11901022
[(3aR,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] acetate
CID 11898758
(3aR,5S,6R,6aS)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-propoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 100870017
(3aR,5R,6S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-(2-methylpropoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11873459
5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(2-methylpropoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 3507612
(1S,2R,6R,8R)-11-methyl-11-sulfanylidenespiro[3,5,7,10,12-pentaoxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane-4,1'-cyclohexane]
CID 102057393
(3aS,4R,6R,6aS)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 57337795

Frequently Asked Questions

What is the IUPAC name of CID 70790447?
The IUPAC name of CID 70790447 (CID 70790447) is not available.
What is the SMILES notation for CID 70790447?
The canonical SMILES for CID 70790447 is C1CCCC2(CC1)O[C@@H]1O[C@@H]3COC4(CCCCCC4)O[C@H]3[C@@H]1O2.
What is the InChIKey of CID 70790447?
The InChIKey is ZORVRHHDHJSKCQ-NCOADZHNSA-N. The full InChI is InChI=1S/C19H30O5/c1-2-6-10-18(9-5-1)20-13-14-15(22-18)16-17(21-14)24-19(23-16)11-7-3-4-8-12-19/h14-17H,1-13H2/t14-,15-,16+,17+/m1/s1.
What are the key properties of CID 70790447?
CID 70790447 has a molecular weight of 338.44 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70790447 is sourced from PubChem (CID 70790447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).