[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane

C31H60Sn — CID 134887193

IUPAC[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane
SMILESCCCC[Sn](/C=C1\CCC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]12)(CCCC)CCCC
InChIInChI=1S/C19H33.3C4H9.Sn/c1-14(2)8-6-9-15(3)17-11-12-18-16(4)10-7-13-19(17,18)5;3*1-3-4-2;/h4,14-15,17-18H,6-13H2,1-3,5H3;3*1,3-4H2,2H3;/t15-,17?,18+,19-;;;;/m1..../s1
InChIKeyHAYIWRUXZVJUTK-IELAAROPSA-N
MW551.53 g/mol
LogP10.98
Rot. Bonds15

About [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane

[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane (PubChem CID 134887193) has the molecular formula C31H60Sn and a molecular weight of 551.53 g/mol. Its IUPAC name is [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane.

Molecular Properties

Compound Name[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane
PubChem CID134887193
Molecular FormulaC31H60Sn
Molecular Weight551.53 g/mol
Exact Mass552.37
IUPAC Name[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane
SMILESCCCC[Sn](/C=C1\CCC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]12)(CCCC)CCCC
InChIInChI=1S/C19H33.3C4H9.Sn/c1-14(2)8-6-9-15(3)17-11-12-18-16(4)10-7-13-19(17,18)5;3*1-3-4-2;/h4,14-15,17-18H,6-13H2,1-3,5H3;3*1,3-4H2,2H3;/t15-,17?,18+,19-;;;;/m1..../s1
InChIKeyHAYIWRUXZVJUTK-IELAAROPSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.53
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane with MolForge

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Related Compounds

4-ethylidene-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 72511490
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;molecular hydrogen
CID 153373254
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 24779628
5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 85045571
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol
CID 87627665
(4E)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 20751368
(1R,3aS,7aR)-1-[(2S)-hexan-2-yl]-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 58992535
cis-(1S,2R,4Z)-4-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methylidenecyclohexane-1,2-diol
CID 5283725
(1R,3aS,4E,7aR)-1-[(2R)-heptan-2-yl]-7a-methyl-4-[2-[(3R,5R)-3,4,5-trimethylcyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59859775
(1R,2R,3S,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2,3-triol
CID 88817151
(2S,5Z)-5-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexan-1-ol
CID 142820667

Frequently Asked Questions

What is the IUPAC name of [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane?
The IUPAC name of [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane (CID 134887193) is [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane.
What is the SMILES notation for [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane?
The canonical SMILES for [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane is CCCC[Sn](/C=C1\CCC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]12)(CCCC)CCCC.
What is the InChIKey of [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane?
The InChIKey is HAYIWRUXZVJUTK-IELAAROPSA-N. The full InChI is InChI=1S/C19H33.3C4H9.Sn/c1-14(2)8-6-9-15(3)17-11-12-18-16(4)10-7-13-19(17,18)5;3*1-3-4-2;/h4,14-15,17-18H,6-13H2,1-3,5H3;3*1,3-4H2,2H3;/t15-,17?,18+,19-;;;;/m1..../s1.
What are the key properties of [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane?
[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane has a molecular weight of 551.53 g/mol, XLogP of 10.98, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane is sourced from PubChem (CID 134887193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).