2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane

C27H38O3Si — CID 102124419

IUPAC2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC(C)=CCC[C@]1(C)C=Cc2c(ccc3cc(C)c(OCOCC[Si](C)(C)C)cc23)O1
InChIInChI=1S/C27H38O3Si/c1-20(2)9-8-13-27(4)14-12-23-24-18-26(29-19-28-15-16-31(5,6)7)21(3)17-22(24)10-11-25(23)30-27/h9-12,14,17-18H,8,13,15-16,19H2,1-7H3/t27-/m1/s1
InChIKeyYOLHKIXCMWQVMF-HHHXNRCGSA-N
MW438.68 g/mol
LogP7.75
Rot. Bonds9

About 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 102124419) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID102124419
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Name2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC(C)=CCC[C@]1(C)C=Cc2c(ccc3cc(C)c(OCOCC[Si](C)(C)C)cc23)O1
InChIInChI=1S/C27H38O3Si/c1-20(2)9-8-13-27(4)14-12-23-24-18-26(29-19-28-15-16-31(5,6)7)21(3)17-22(24)10-11-25(23)30-27/h9-12,14,17-18H,8,13,15-16,19H2,1-7H3/t27-/m1/s1
InChIKeyYOLHKIXCMWQVMF-HHHXNRCGSA-N
XLogP7.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-[9-(methoxymethoxy)-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromen-8-yl]-1,4-dioxonaphthalen-2-yl] trifluoromethanesulfonate
CID 10675649
(3R)-3-methyl-3-(4-methylpent-3-enyl)-9-(oxan-2-yloxy)benzo[f]chromene
CID 102124396
1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
CID 126659202
(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde
CID 163192949
(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
CID 134968550
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
CID 177454161
3-methoxy-6-[(3R,8R)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CID 162912952
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
CID 135271324
2-[2,7-dimethyl-2-(4-methylpent-3-enyl)-5-oxopyrano[3,2-c]pyridin-6-yl]acetic acid
CID 110091397

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane (CID 102124419) is 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane is CC(C)=CCC[C@]1(C)C=Cc2c(ccc3cc(C)c(OCOCC[Si](C)(C)C)cc23)O1.
What is the InChIKey of 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is YOLHKIXCMWQVMF-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-20(2)9-8-13-27(4)14-12-23-24-18-26(29-19-28-15-16-31(5,6)7)21(3)17-22(24)10-11-25(23)30-27/h9-12,14,17-18H,8,13,15-16,19H2,1-7H3/t27-/m1/s1.
What are the key properties of 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 438.68 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 102124419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).