8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene

C30H36O6 — CID 162929103

IUPAC8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene
SMILESCOc1cc(OC)c2c(c1C=C[C@H](C)c1c(OC)cc(OC)c3c1OC(C)(C)C=C3)OC(C)(C)C=C2
InChIInChI=1S/C30H36O6/c1-18(26-25(34-9)17-24(33-8)21-13-15-30(4,5)36-28(21)26)10-11-19-22(31-6)16-23(32-7)20-12-14-29(2,3)35-27(19)20/h10-18H,1-9H3/t18-/m0/s1
InChIKeyBQJDTXGQQNWWEQ-SFHVURJKSA-N
MW492.61 g/mol
LogP6.91
Rot. Bonds7

About 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene

8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene (PubChem CID 162929103) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene.

Molecular Properties

Compound Name8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene
PubChem CID162929103
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Name8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene
SMILESCOc1cc(OC)c2c(c1C=C[C@H](C)c1c(OC)cc(OC)c3c1OC(C)(C)C=C3)OC(C)(C)C=C2
InChIInChI=1S/C30H36O6/c1-18(26-25(34-9)17-24(33-8)21-13-15-30(4,5)36-28(21)26)10-11-19-22(31-6)16-23(32-7)20-12-14-29(2,3)35-27(19)20/h10-18H,1-9H3/t18-/m0/s1
InChIKeyBQJDTXGQQNWWEQ-SFHVURJKSA-N
XLogP6.91
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(E)-3-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-1-enyl]-5,7-dimethoxy-2,2-dimethylchromene
CID 102316914
6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one
CID 177433590
8-methoxy-2,2-dimethylchromene-6-carbaldehyde
CID 13248419
1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane
CID 11640705
(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 132850788
[2-methoxy-5-[3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl] 2-aminoacetate
CID 123909222
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone
CID 132850797
(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
CID 132850786
20-methoxy-16,16-dimethyl-2,5,7,15-tetraoxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(21),3(11),4(8),9,13,17,19-heptaen-12-one
CID 134816993
7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937
1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 78138967

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene?
The IUPAC name of 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene (CID 162929103) is 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene.
What is the SMILES notation for 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene?
The canonical SMILES for 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene is COc1cc(OC)c2c(c1C=C[C@H](C)c1c(OC)cc(OC)c3c1OC(C)(C)C=C3)OC(C)(C)C=C2.
What is the InChIKey of 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene?
The InChIKey is BQJDTXGQQNWWEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C30H36O6/c1-18(26-25(34-9)17-24(33-8)21-13-15-30(4,5)36-28(21)26)10-11-19-22(31-6)16-23(32-7)20-12-14-29(2,3)35-27(19)20/h10-18H,1-9H3/t18-/m0/s1.
What are the key properties of 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene?
8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene has a molecular weight of 492.61 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-4-(5,7-dimethoxy-2,2-dimethylchromen-8-yl)but-3-en-2-yl]-5,7-dimethoxy-2,2-dimethylchromene is sourced from PubChem (CID 162929103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).