(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene

C29H50O2 — CID 174318858

IUPAC(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene
SMILESCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCCCCCCCCCCC(C)C)O2
InChIInChI=1S/C29H50O2/c1-8-30-27-23(4)24(5)28-26(25(27)6)19-21-29(7,31-28)20-17-15-13-11-9-10-12-14-16-18-22(2)3/h22H,8-21H2,1-7H3/t29-/m1/s1
InChIKeyNKIMRAVZGJIAOL-GDLZYMKVSA-N
MW430.72 g/mol
LogP9.04
Rot. Bonds14

About (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene

(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene (PubChem CID 174318858) has the molecular formula C29H50O2 and a molecular weight of 430.72 g/mol. Its IUPAC name is (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene
PubChem CID174318858
Molecular FormulaC29H50O2
Molecular Weight430.72 g/mol
Exact Mass430.38
IUPAC Name(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene
SMILESCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCCCCCCCCCCC(C)C)O2
InChIInChI=1S/C29H50O2/c1-8-30-27-23(4)24(5)28-26(25(27)6)19-21-29(7,31-28)20-17-15-13-11-9-10-12-14-16-18-22(2)3/h22H,8-21H2,1-7H3/t29-/m1/s1
InChIKeyNKIMRAVZGJIAOL-GDLZYMKVSA-N
XLogP9.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene?
The IUPAC name of (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene (CID 174318858) is (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene.
What is the SMILES notation for (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene?
The canonical SMILES for (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene is CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCCCCCCCCCCC(C)C)O2.
What is the InChIKey of (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene?
The InChIKey is NKIMRAVZGJIAOL-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H50O2/c1-8-30-27-23(4)24(5)28-26(25(27)6)19-21-29(7,31-28)20-17-15-13-11-9-10-12-14-16-18-22(2)3/h22H,8-21H2,1-7H3/t29-/m1/s1.
What are the key properties of (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene?
(2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene has a molecular weight of 430.72 g/mol, XLogP of 9.04, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-ethoxy-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromene is sourced from PubChem (CID 174318858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).