CID 162855372

C22H34O4 — CID 162855372

IUPAC—
SMILESCCO[C@@H]1C[C@@]2(CC[C@@]3(O2)C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1
InChIInChI=1S/C22H34O4/c1-6-24-17-13-21(14-25-17)10-11-22(26-21)15(2)12-16(23)18-19(3,4)8-7-9-20(18,22)5/h12,17-18H,6-11,13-14H2,1-5H3/t17-,18-,20-,21-,22+/m0/s1
InChIKeyYBRFRBTUTKONGW-OOOLTRJPSA-N
MW362.51 g/mol
LogP4.42
Rot. Bonds2

About CID 162855372

CID 162855372 (PubChem CID 162855372) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol.

Molecular Properties

Compound NameCID 162855372
PubChem CID162855372
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name—
SMILESCCO[C@@H]1C[C@@]2(CC[C@@]3(O2)C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1
InChIInChI=1S/C22H34O4/c1-6-24-17-13-21(14-25-17)10-11-22(26-21)15(2)12-16(23)18-19(3,4)8-7-9-20(18,22)5/h12,17-18H,6-11,13-14H2,1-5H3/t17-,18-,20-,21-,22+/m0/s1
InChIKeyYBRFRBTUTKONGW-OOOLTRJPSA-N
XLogP4.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163076817
CID 163076817
3-[2-[(1R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
CID 24795706
2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-one
CID 74317234
(7aR)-2-(1-hydroxyethyl)-4,4,7a-trimethyl-3a,5,6,7-tetrahydro-1-benzofuran-3-one
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CID 163009634
(4S,4aS,6S,8aR)-4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
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[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]methyl acetate
CID 14489276
CID 162912642
CID 162912642
6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
CID 10797320
5-ethoxy-2,2-dimethyl-1,4-dioxane
CID 12732955

Frequently Asked Questions

What is the IUPAC name of CID 162855372?
The IUPAC name of CID 162855372 (CID 162855372) is not available.
What is the SMILES notation for CID 162855372?
The canonical SMILES for CID 162855372 is CCO[C@@H]1C[C@@]2(CC[C@@]3(O2)C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1.
What is the InChIKey of CID 162855372?
The InChIKey is YBRFRBTUTKONGW-OOOLTRJPSA-N. The full InChI is InChI=1S/C22H34O4/c1-6-24-17-13-21(14-25-17)10-11-22(26-21)15(2)12-16(23)18-19(3,4)8-7-9-20(18,22)5/h12,17-18H,6-11,13-14H2,1-5H3/t17-,18-,20-,21-,22+/m0/s1.
What are the key properties of CID 162855372?
CID 162855372 has a molecular weight of 362.51 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162855372 is sourced from PubChem (CID 162855372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).