2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol

C25H38O2 — CID 3043681

IUPAC2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1
InChIInChI=1S/C25H38O2/c1-8-9-10-11-16(2)17(3)18-12-21(26)23-19-14-24(4,5)15-20(19)25(6,7)27-22(23)13-18/h12-13,16-17,26H,8-11,14-15H2,1-7H3
InChIKeyRTKUCVAYNSXMMS-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.46
Rot. Bonds6

About 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol

2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol (PubChem CID 3043681) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol
PubChem CID3043681
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1
InChIInChI=1S/C25H38O2/c1-8-9-10-11-16(2)17(3)18-12-21(26)23-19-14-24(4,5)15-20(19)25(6,7)27-22(23)13-18/h12-13,16-17,26H,8-11,14-15H2,1-7H3
InChIKeyRTKUCVAYNSXMMS-UHFFFAOYSA-N
XLogP7.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(+-)-Cannabichromene
CID 30219
Nabilone
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Delta-8-Tetrahydrocannabinol
CID 638026
Dexanabinol
CID 107778
Tetrahydrocannabivarin
CID 93147
Lenabasum
CID 3083542
HU-308
CID 11553430
HU 210
CID 9821569
Cannabielsoin
CID 162113
Delta(9-11)-Tetrahydrocannabinol
CID 167577

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol?
The IUPAC name of 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol (CID 3043681) is 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol is CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1.
What is the InChIKey of 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol?
The InChIKey is RTKUCVAYNSXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2/c1-8-9-10-11-16(2)17(3)18-12-21(26)23-19-14-24(4,5)15-20(19)25(6,7)27-22(23)13-18/h12-13,16-17,26H,8-11,14-15H2,1-7H3.
What are the key properties of 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol?
2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol has a molecular weight of 370.58 g/mol, XLogP of 7.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol is sourced from PubChem (CID 3043681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).