CID 59966993

C20H30O2 — CID 59966993

IUPAC—
SMILES[CH]C1CC([CH])C(C(=O)OC2(CC)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C20H30O2/c1-7-20(18(4,5)15-8-9-19(20,6)12-15)22-17(21)16-11-13(2)10-14(16)3/h2-3,13-16H,7-12H2,1,4-6H3
InChIKeySYOYUVRFDBTFTC-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.59
Rot. Bonds3

About CID 59966993

CID 59966993 (PubChem CID 59966993) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol.

Molecular Properties

Compound NameCID 59966993
PubChem CID59966993
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name—
SMILES[CH]C1CC([CH])C(C(=O)OC2(CC)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C20H30O2/c1-7-20(18(4,5)15-8-9-19(20,6)12-15)22-17(21)16-11-13(2)10-14(16)3/h2-3,13-16H,7-12H2,1,4-6H3
InChIKeySYOYUVRFDBTFTC-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70888757
(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-tert-butyl-4,4-dimethylpentanoate
CID 70888754
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 117067501
[(1R,2R,4S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] (1R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 91342821
1,3,3-trimethyl-2-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptan-2-ol
CID 115401258
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401241
2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141012812
(1,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclopropene]-2-yl) prop-2-enoate
CID 89380444
1-O-(1-ethylcyclopropyl) 4-O-(2-methyl-2-adamantyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372446
1-[(1R,5R,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]propan-1-one
CID 24879638

Frequently Asked Questions

What is the IUPAC name of CID 59966993?
The IUPAC name of CID 59966993 (CID 59966993) is not available.
What is the SMILES notation for CID 59966993?
The canonical SMILES for CID 59966993 is [CH]C1CC([CH])C(C(=O)OC2(CC)C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of CID 59966993?
The InChIKey is SYOYUVRFDBTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-7-20(18(4,5)15-8-9-19(20,6)12-15)22-17(21)16-11-13(2)10-14(16)3/h2-3,13-16H,7-12H2,1,4-6H3.
What are the key properties of CID 59966993?
CID 59966993 has a molecular weight of 302.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59966993 is sourced from PubChem (CID 59966993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).