2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane

C27H48O2 — CID 167473790

IUPAC2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane
SMILESCCCC(C)CCCC(C)CCCC(C)C.Cc1cc(O)cc2c1OC(C)CC2
InChIInChI=1S/C16H34.C11H14O2/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3;1-7-5-10(12)6-9-4-3-8(2)13-11(7)9/h14-16H,6-13H2,1-5H3;5-6,8,12H,3-4H2,1-2H3
InChIKeyATCBEXKFPRYOOU-UHFFFAOYSA-N
MW404.68 g/mol
LogP8.47
Rot. Bonds10

About 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane

2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane (PubChem CID 167473790) has the molecular formula C27H48O2 and a molecular weight of 404.68 g/mol. Its IUPAC name is 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane.

Molecular Properties

Compound Name2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane
PubChem CID167473790
Molecular FormulaC27H48O2
Molecular Weight404.68 g/mol
Exact Mass404.37
IUPAC Name2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane
SMILESCCCC(C)CCCC(C)CCCC(C)C.Cc1cc(O)cc2c1OC(C)CC2
InChIInChI=1S/C16H34.C11H14O2/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3;1-7-5-10(12)6-9-4-3-8(2)13-11(7)9/h14-16H,6-13H2,1-5H3;5-6,8,12H,3-4H2,1-2H3
InChIKeyATCBEXKFPRYOOU-UHFFFAOYSA-N
XLogP8.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane?
The IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane (CID 167473790) is 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane.
What is the SMILES notation for 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane?
The canonical SMILES for 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane is CCCC(C)CCCC(C)CCCC(C)C.Cc1cc(O)cc2c1OC(C)CC2.
What is the InChIKey of 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane?
The InChIKey is ATCBEXKFPRYOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C11H14O2/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3;1-7-5-10(12)6-9-4-3-8(2)13-11(7)9/h14-16H,6-13H2,1-5H3;5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane?
2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane has a molecular weight of 404.68 g/mol, XLogP of 8.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,4-dihydro-2H-chromen-6-ol;2,6,10-trimethyltridecane is sourced from PubChem (CID 167473790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).