[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane

C22H29NO2Sn — CID 70065368

IUPAC[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
SMILESCOc1ccc(C(=Cc2ccncc2)[Sn](C)(C)C)cc1OC1CCCC1
InChIInChI=1S/C19H20NO2.3CH3.Sn/c1-21-18-9-8-16(7-6-15-10-12-20-13-11-15)14-19(18)22-17-4-2-3-5-17;;;;/h6,8-14,17H,2-5H2,1H3;3*1H3;
InChIKeyBMJDTLBSWKEQRW-UHFFFAOYSA-N
MW458.19 g/mol
LogP5.83
Rot. Bonds6

About [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane

[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane (PubChem CID 70065368) has the molecular formula C22H29NO2Sn and a molecular weight of 458.19 g/mol. Its IUPAC name is [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane.

Molecular Properties

Compound Name[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
PubChem CID70065368
Molecular FormulaC22H29NO2Sn
Molecular Weight458.19 g/mol
Exact Mass459.12
IUPAC Name[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
SMILESCOc1ccc(C(=Cc2ccncc2)[Sn](C)(C)C)cc1OC1CCCC1
InChIInChI=1S/C19H20NO2.3CH3.Sn/c1-21-18-9-8-16(7-6-15-10-12-20-13-11-15)14-19(18)22-17-4-2-3-5-17;;;;/h6,8-14,17H,2-5H2,1H3;3*1H3;
InChIKeyBMJDTLBSWKEQRW-UHFFFAOYSA-N
XLogP5.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.19
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 142654604
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
CID 19959374
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
CID 70076005
(NZ)-N-[2-chloro-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 87638358
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane?
The IUPAC name of [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane (CID 70065368) is [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane.
What is the SMILES notation for [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane?
The canonical SMILES for [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane is COc1ccc(C(=Cc2ccncc2)[Sn](C)(C)C)cc1OC1CCCC1.
What is the InChIKey of [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane?
The InChIKey is BMJDTLBSWKEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO2.3CH3.Sn/c1-21-18-9-8-16(7-6-15-10-12-20-13-11-15)14-19(18)22-17-4-2-3-5-17;;;;/h6,8-14,17H,2-5H2,1H3;3*1H3;.
What are the key properties of [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane?
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane has a molecular weight of 458.19 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane is sourced from PubChem (CID 70065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).