CID 20609591

C21H32O2 — CID 20609591

IUPAC—
SMILESCCC1CC(CC)C2C1C1CC2C2(CC(=O)OC23CCCC3)C1
InChIInChI=1S/C21H32O2/c1-3-13-9-14(4-2)19-16-10-15(18(13)19)11-20(16)12-17(22)23-21(20)7-5-6-8-21/h13-16,18-19H,3-12H2,1-2H3
InChIKeyOZRGJGSJMILLCZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.96
Rot. Bonds2

About CID 20609591

CID 20609591 (PubChem CID 20609591) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol.

Molecular Properties

Compound NameCID 20609591
PubChem CID20609591
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name—
SMILESCCC1CC(CC)C2C1C1CC2C2(CC(=O)OC23CCCC3)C1
InChIInChI=1S/C21H32O2/c1-3-13-9-14(4-2)19-16-10-15(18(13)19)11-20(16)12-17(22)23-21(20)7-5-6-8-21/h13-16,18-19H,3-12H2,1-2H3
InChIKeyOZRGJGSJMILLCZ-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 20743950
Tert-butyl 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 20826543
Tert-butyl 4-fluorotetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 21053480
CID 58699663
CID 58699663
CID 58699665
CID 58699665
CID 58699738
CID 58699738
(1-Methylcyclohexyl) 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203934
2-(4-Methylcyclohexyl)propan-2-yl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203936
CID 135046544
CID 135046544
Decahydro-4-methylspiro(furan-2(5H),5'-(4,7)methano(5H)indene)-5-one
CID 44149475
Tert-butyl 4-fluoro-6-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58699621
Tert-butyl 5-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58699666

Frequently Asked Questions

What is the IUPAC name of CID 20609591?
The IUPAC name of CID 20609591 (CID 20609591) is not available.
What is the SMILES notation for CID 20609591?
The canonical SMILES for CID 20609591 is CCC1CC(CC)C2C1C1CC2C2(CC(=O)OC23CCCC3)C1.
What is the InChIKey of CID 20609591?
The InChIKey is OZRGJGSJMILLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-3-13-9-14(4-2)19-16-10-15(18(13)19)11-20(16)12-17(22)23-21(20)7-5-6-8-21/h13-16,18-19H,3-12H2,1-2H3.
What are the key properties of CID 20609591?
CID 20609591 has a molecular weight of 316.49 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20609591 is sourced from PubChem (CID 20609591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).