[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene

C30H38O3 — CID 176666843

IUPAC[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene
SMILESC=CC1=C(/C=C\C)C(COC(=O)C(C)C)c2ccccc21.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C19H22O2.C11H16O/c1-5-9-15-14(6-2)16-10-7-8-11-17(16)18(15)12-21-19(20)13(3)4;1-9(2)8-10-4-6-11(12-3)7-5-10/h5-11,13,18H,2,12H2,1,3-4H3;4-7,9H,8H2,1-3H3/b9-5-;
InChIKeyXOQJMMXLMAGRLX-UYTGOYFPSA-N
MW446.63 g/mol
LogP7.39
Rot. Bonds8

About [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene

[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene (PubChem CID 176666843) has the molecular formula C30H38O3 and a molecular weight of 446.63 g/mol. Its IUPAC name is [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene
PubChem CID176666843
Molecular FormulaC30H38O3
Molecular Weight446.63 g/mol
Exact Mass446.28
IUPAC Name[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene
SMILESC=CC1=C(/C=C\C)C(COC(=O)C(C)C)c2ccccc21.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C19H22O2.C11H16O/c1-5-9-15-14(6-2)16-10-7-8-11-17(16)18(15)12-21-19(20)13(3)4;1-9(2)8-10-4-6-11(12-3)7-5-10/h5-11,13,18H,2,12H2,1,3-4H3;4-7,9H,8H2,1-3H3/b9-5-;
InChIKeyXOQJMMXLMAGRLX-UYTGOYFPSA-N
XLogP7.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol
CID 143114864
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-formylpiperidine-1-carboxylate
CID 145047292
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl N-[2-(1-benzofuran-6-yl)ethyl]-N-methylcarbamate
CID 168924080
prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
CID 102532078
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl N-(3-oxopropyl)carbamate;4-ethyl-2-(methylamino)phenol;formic acid
CID 155721388
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
benzyl formate;benzyl 2-methylpropanoate;ethane;9H-fluoren-9-ylmethyl formate;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;1-methoxy-4-methylbenzene;bis(2-methylbutane);3-methylbutan-2-one;4-methylpent-1-ene;bis(2-methylpropane);2-methylpropylbenzene;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;prop-2-enyl 2-methylpropanoate;toluene;trimethyl(2-methylpropyl)silane
CID 158341338
9H-fluoren-9-ylmethyl N-[(2S,3R)-1-hydroxy-3-[(4-methoxyphenyl)methoxy]pent-4-en-2-yl]carbamate
CID 11633968
methane;(4-methoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 51341624
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 103747678
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762

Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene?
The IUPAC name of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene (CID 176666843) is [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene?
The canonical SMILES for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene is C=CC1=C(/C=C\C)C(COC(=O)C(C)C)c2ccccc21.COc1ccc(CC(C)C)cc1.
What is the InChIKey of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene?
The InChIKey is XOQJMMXLMAGRLX-UYTGOYFPSA-N. The full InChI is InChI=1S/C19H22O2.C11H16O/c1-5-9-15-14(6-2)16-10-7-8-11-17(16)18(15)12-21-19(20)13(3)4;1-9(2)8-10-4-6-11(12-3)7-5-10/h5-11,13,18H,2,12H2,1,3-4H3;4-7,9H,8H2,1-3H3/b9-5-;.
What are the key properties of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene?
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene has a molecular weight of 446.63 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 176666843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).