(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

C28H42O2 — CID 163010876

IUPAC(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
SMILESCOc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2
InChIInChI=1S/C28H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-28(6)18-16-25-20-26(29-7)19-24(5)27(25)30-28/h11,13,15,19-20H,8-10,12,14,16-18H2,1-7H3/t28-/m0/s1
InChIKeyMLDWXXNWZJMFMZ-NDEPHWFRSA-N
MW410.64 g/mol
LogP8.29
Rot. Bonds10

About (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (PubChem CID 163010876) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
PubChem CID163010876
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
SMILESCOc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2
InChIInChI=1S/C28H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-28(6)18-16-25-20-26(29-7)19-24(5)27(25)30-28/h11,13,15,19-20H,8-10,12,14,16-18H2,1-7H3/t28-/m0/s1
InChIKeyMLDWXXNWZJMFMZ-NDEPHWFRSA-N
XLogP8.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-6-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]peroxy]-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 163185406
methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate
CID 162893087
4-[[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxobut-2-enoic acid
CID 67350936
2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene
CID 176937160
(2S)-2,6-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-8-ol
CID 162963850
(2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
CID 162914665
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 144558587
(2S)-2,7,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242640
(2S)-2,7,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242639
(2R)-2,7,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242642
[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10460768
(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
CID 102351627

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The IUPAC name of (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (CID 163010876) is (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.
What is the SMILES notation for (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The canonical SMILES for (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is COc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2.
What is the InChIKey of (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The InChIKey is MLDWXXNWZJMFMZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-28(6)18-16-25-20-26(29-7)19-24(5)27(25)30-28/h11,13,15,19-20H,8-10,12,14,16-18H2,1-7H3/t28-/m0/s1.
What are the key properties of (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene has a molecular weight of 410.64 g/mol, XLogP of 8.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is sourced from PubChem (CID 163010876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).