methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate

C18H24O2 — CID 123594241

IUPACmethyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H24O2/c1-17(2)10-11-18(3,4)15-12-13(6-8-14(15)17)7-9-16(19)20-5/h6-9,12H,10-11H2,1-5H3
InChIKeyDJNYCAUMOIQNSU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.22
Rot. Bonds2

About methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate

methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate (PubChem CID 123594241) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
PubChem CID123594241
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Namemethyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H24O2/c1-17(2)10-11-18(3,4)15-12-13(6-8-14(15)17)7-9-16(19)20-5/h6-9,12H,10-11H2,1-5H3
InChIKeyDJNYCAUMOIQNSU-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]prop-2-enoate
CID 121474344
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoyloxy]benzoic acid
CID 70214603
methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
CID 19261502
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886
ethyl 3-[3-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1-benzofuran-6-yl]prop-2-enoate
CID 54110737
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
CID 54120103
methyl (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enoate
CID 44584092
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633
(E)-3-(3,4-dimethoxyphenyl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enamide
CID 51039526
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]phosphonic acid
CID 70356504

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate (CID 123594241) is methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate is COC(=O)C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate?
The InChIKey is DJNYCAUMOIQNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2)10-11-18(3,4)15-12-13(6-8-14(15)17)7-9-16(19)20-5/h6-9,12H,10-11H2,1-5H3.
What are the key properties of methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate?
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate has a molecular weight of 272.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 123594241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).