CID 163009634

C22H32O6 — CID 163009634

IUPAC—
SMILESCC(=O)O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(C=COC3)O2)[C@@]1(C)O
InChIInChI=1S/C22H32O6/c1-14(23)27-17-15(24)16-18(2,3)7-6-8-19(16,4)22(20(17,5)25)10-9-21(28-22)11-12-26-13-21/h11-12,16-17,25H,6-10,13H2,1-5H3/t16-,17-,19-,20-,21-,22-/m0/s1
InChIKeySTWXHEKCQIJYNQ-BJYRRAHNSA-N
MW392.49 g/mol
LogP2.92
Rot. Bonds1

About CID 163009634

CID 163009634 (PubChem CID 163009634) has the molecular formula C22H32O6 and a molecular weight of 392.49 g/mol.

Molecular Properties

Compound NameCID 163009634
PubChem CID163009634
Molecular FormulaC22H32O6
Molecular Weight392.49 g/mol
Exact Mass392.22
IUPAC Name—
SMILESCC(=O)O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(C=COC3)O2)[C@@]1(C)O
InChIInChI=1S/C22H32O6/c1-14(23)27-17-15(24)16-18(2,3)7-6-8-19(16,4)22(20(17,5)25)10-9-21(28-22)11-12-26-13-21/h11-12,16-17,25H,6-10,13H2,1-5H3/t16-,17-,19-,20-,21-,22-/m0/s1
InChIKeySTWXHEKCQIJYNQ-BJYRRAHNSA-N
XLogP2.92
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] acetate
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[(1S,3S,4S,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
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2-[(1R,2S,3S,4aS,8aR)-3-acetyloxy-2-(1-ethoxyethoxy)-2,5,5,8a-tetramethyl-4-oxo-1,3,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl acetate
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[(1R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of CID 163009634?
The IUPAC name of CID 163009634 (CID 163009634) is not available.
What is the SMILES notation for CID 163009634?
The canonical SMILES for CID 163009634 is CC(=O)O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(C=COC3)O2)[C@@]1(C)O.
What is the InChIKey of CID 163009634?
The InChIKey is STWXHEKCQIJYNQ-BJYRRAHNSA-N. The full InChI is InChI=1S/C22H32O6/c1-14(23)27-17-15(24)16-18(2,3)7-6-8-19(16,4)22(20(17,5)25)10-9-21(28-22)11-12-26-13-21/h11-12,16-17,25H,6-10,13H2,1-5H3/t16-,17-,19-,20-,21-,22-/m0/s1.
What are the key properties of CID 163009634?
CID 163009634 has a molecular weight of 392.49 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163009634 is sourced from PubChem (CID 163009634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).