2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene

C21H26O — CID 163569988

IUPAC2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(C(C)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C21H26O/c1-6-13-22-20-12-11-18-14-17(9-10-19(18)15-20)16(4)21(5,7-2)8-3/h1,9-12,14-16H,7-8,13H2,2-5H3
InChIKeyFYMWNDMHIOTGCA-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.78
Rot. Bonds6

About 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene

2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene (PubChem CID 163569988) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene
PubChem CID163569988
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(C(C)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C21H26O/c1-6-13-22-20-12-11-18-14-17(9-10-19(18)15-20)16(4)21(5,7-2)8-3/h1,9-12,14-16H,7-8,13H2,2-5H3
InChIKeyFYMWNDMHIOTGCA-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
1-(2-methylbutan-2-yl)-3-prop-2-ynoxybenzene
CID 89102636
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
CID 170196742
10-but-3-ynylphenothiazine;ethane;2-propan-2-yl-6-prop-2-ynoxynaphthalene
CID 158894044
1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene
CID 14716637
bis(4-prop-2-ynoxyphenyl)methanol
CID 102483655
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
tris(1-N,4-N-bis(4-ethynylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine);ethane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-yl-6-prop-2-ynoxynaphthalene
CID 160894288
(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
CID 178185600
1-[[4-[bis[2,4-bis(prop-2-ynoxy)phenyl]methyl]phenyl]-[2,4-bis(prop-2-ynoxy)phenyl]methyl]-2,4-bis(prop-2-ynoxy)benzene
CID 132839243

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene?
The IUPAC name of 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene (CID 163569988) is 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene.
What is the SMILES notation for 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene?
The canonical SMILES for 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene is C#CCOc1ccc2cc(C(C)C(C)(CC)CC)ccc2c1.
What is the InChIKey of 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene?
The InChIKey is FYMWNDMHIOTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-6-13-22-20-12-11-18-14-17(9-10-19(18)15-20)16(4)21(5,7-2)8-3/h1,9-12,14-16H,7-8,13H2,2-5H3.
What are the key properties of 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene?
2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene has a molecular weight of 294.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene is sourced from PubChem (CID 163569988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).