CID 162970471

C22H34O4 — CID 162970471

IUPAC—
SMILESCC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3/t15-,17-,18+,20+,21+,22-/m1/s1
InChIKeyFWXSOZHEZZNUHJ-CUIOVFSASA-N
MW362.51 g/mol
LogP4.62
Rot. Bonds1

About CID 162970471

CID 162970471 (PubChem CID 162970471) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol.

Molecular Properties

Compound NameCID 162970471
PubChem CID162970471
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name—
SMILESCC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3/t15-,17-,18+,20+,21+,22-/m1/s1
InChIKeyFWXSOZHEZZNUHJ-CUIOVFSASA-N
XLogP4.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162964843
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CID 10740223
CID 101077826
CID 101077826
CID 163009634
CID 163009634
CID 163190142
CID 163190142
[(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
CID 20598207
[(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
CID 59101580
[4-hydroxy-4-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 162868301
[(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 162868303
CID 162888514
CID 162888514
5'-(2-hydroxyethyl)-5'-(hydroxymethyl)-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-ol
CID 162992918

Frequently Asked Questions

What is the IUPAC name of CID 162970471?
The IUPAC name of CID 162970471 (CID 162970471) is not available.
What is the SMILES notation for CID 162970471?
The canonical SMILES for CID 162970471 is CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12.
What is the InChIKey of CID 162970471?
The InChIKey is FWXSOZHEZZNUHJ-CUIOVFSASA-N. The full InChI is InChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3/t15-,17-,18+,20+,21+,22-/m1/s1.
What are the key properties of CID 162970471?
CID 162970471 has a molecular weight of 362.51 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162970471 is sourced from PubChem (CID 162970471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).