2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane

C24H32O3 — CID 158877211

IUPAC2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane
SMILESC.C=CC(C)CCCC(C)(C)OC(=O)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H28O3.CH4/c1-5-17(2)9-8-14-23(3,4)26-22(25)16-21(24)20-13-12-18-10-6-7-11-19(18)15-20;/h5-7,10-13,15,17H,1,8-9,14,16H2,2-4H3;1H4
InChIKeyJCOXKGFEBZXYPQ-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.36
Rot. Bonds9

About 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane

2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane (PubChem CID 158877211) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane.

Molecular Properties

Compound Name2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane
PubChem CID158877211
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane
SMILESC.C=CC(C)CCCC(C)(C)OC(=O)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H28O3.CH4/c1-5-17(2)9-8-14-23(3,4)26-22(25)16-21(24)20-13-12-18-10-6-7-11-19(18)15-20;/h5-7,10-13,15,17H,1,8-9,14,16H2,2-4H3;1H4
InChIKeyJCOXKGFEBZXYPQ-UHFFFAOYSA-N
XLogP6.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone
CID 90693753
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-yl-4-oxobutanoate
CID 162417631
octa-2,6-dienyl 3-naphthalen-2-yl-3-oxopropanoate
CID 70149356
[8-[(2-methylpropan-2-yl)oxycarbonylamino]-1-naphthalen-2-yl-1,3-dioxooctan-4-yl]carbamic acid
CID 68894907
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
7-methyl-1-naphthalen-2-ylnonane-1,8-dione
CID 59908425
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane?
The IUPAC name of 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane (CID 158877211) is 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane.
What is the SMILES notation for 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane?
The canonical SMILES for 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane is C.C=CC(C)CCCC(C)(C)OC(=O)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane?
The InChIKey is JCOXKGFEBZXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3.CH4/c1-5-17(2)9-8-14-23(3,4)26-22(25)16-21(24)20-13-12-18-10-6-7-11-19(18)15-20;/h5-7,10-13,15,17H,1,8-9,14,16H2,2-4H3;1H4.
What are the key properties of 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane?
2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane has a molecular weight of 368.52 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-7-en-2-yl 3-naphthalen-2-yl-3-oxopropanoate;methane is sourced from PubChem (CID 158877211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).