CID 123134100

C28H38K2O2 — CID 123134100

IUPAC—
SMILESCC(C)(C)c1cc2c(c(-c3c(O)c(C(C)(C)C)cc4c3CCCC4)c1O)CCCC2.[K].[K]
InChIInChI=1S/C28H38O2.2K/c1-27(2,3)21-15-17-11-7-9-13-19(17)23(25(21)29)24-20-14-10-8-12-18(20)16-22(26(24)30)28(4,5)6;;/h15-16,29-30H,7-14H2,1-6H3;;
InChIKeyGZJXWZLMHZKQLF-UHFFFAOYSA-N
MW484.81 g/mol
LogP6.36
Rot. Bonds1

About CID 123134100

CID 123134100 (PubChem CID 123134100) has the molecular formula C28H38K2O2 and a molecular weight of 484.81 g/mol.

Molecular Properties

Compound NameCID 123134100
PubChem CID123134100
Molecular FormulaC28H38K2O2
Molecular Weight484.81 g/mol
Exact Mass484.21
IUPAC Name—
SMILESCC(C)(C)c1cc2c(c(-c3c(O)c(C(C)(C)C)cc4c3CCCC4)c1O)CCCC2.[K].[K]
InChIInChI=1S/C28H38O2.2K/c1-27(2,3)21-15-17-11-7-9-13-19(17)23(25(21)29)24-20-14-10-8-12-18(20)16-22(26(24)30)28(4,5)6;;/h15-16,29-30H,7-14H2,1-6H3;;
InChIKeyGZJXWZLMHZKQLF-UHFFFAOYSA-N
XLogP6.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58460725
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 122383670
3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117352189
4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
CID 167114083
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
CID 137098307
1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 102573654
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
2-tert-butyl-4,6-dimethylphenol
CID 87814182
7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 130466939
3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 84674417

Frequently Asked Questions

What is the IUPAC name of CID 123134100?
The IUPAC name of CID 123134100 (CID 123134100) is not available.
What is the SMILES notation for CID 123134100?
The canonical SMILES for CID 123134100 is CC(C)(C)c1cc2c(c(-c3c(O)c(C(C)(C)C)cc4c3CCCC4)c1O)CCCC2.[K].[K].
What is the InChIKey of CID 123134100?
The InChIKey is GZJXWZLMHZKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2.2K/c1-27(2,3)21-15-17-11-7-9-13-19(17)23(25(21)29)24-20-14-10-8-12-18(20)16-22(26(24)30)28(4,5)6;;/h15-16,29-30H,7-14H2,1-6H3;;.
What are the key properties of CID 123134100?
CID 123134100 has a molecular weight of 484.81 g/mol, XLogP of 6.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123134100 is sourced from PubChem (CID 123134100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).