acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane

C19H24 — CID 143742296

IUPACacetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane
SMILESC#C.C=C/C=C1\CC(C)=c2ccccc2=C1C.CC
InChIInChI=1S/C15H16.C2H6.C2H2/c1-4-7-13-10-11(2)14-8-5-6-9-15(14)12(13)3;2*1-2/h4-9H,1,10H2,2-3H3;1-2H3;1-2H/b13-7+;;
InChIKeyKVBLMXWJQJKFOY-JOZOFPPJSA-N
MW252.40 g/mol
LogP3.82
Rot. Bonds1

About acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane

acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane (PubChem CID 143742296) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane.

Molecular Properties

Compound Nameacetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane
PubChem CID143742296
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Nameacetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane
SMILESC#C.C=C/C=C1\CC(C)=c2ccccc2=C1C.CC
InChIInChI=1S/C15H16.C2H6.C2H2/c1-4-7-13-10-11(2)14-8-5-6-9-15(14)12(13)3;2*1-2/h4-9H,1,10H2,2-3H3;1-2H3;1-2H/b13-7+;;
InChIKeyKVBLMXWJQJKFOY-JOZOFPPJSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene
CID 143379887
acetylene;biphenylene
CID 159796099
1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 143498438
1,3-dimethyl-2H-naphthalene
CID 152754808
ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene
CID 58220049
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
CID 170763545
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
CID 144783390
1-fluoro-4-methyl-2,3-dihydronaphthalene
CID 143753613
2,3-dimethyl-1H-indene;ethane
CID 54108652

Frequently Asked Questions

What is the IUPAC name of acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane?
The IUPAC name of acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane (CID 143742296) is acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane.
What is the SMILES notation for acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane?
The canonical SMILES for acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane is C#C.C=C/C=C1\CC(C)=c2ccccc2=C1C.CC.
What is the InChIKey of acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane?
The InChIKey is KVBLMXWJQJKFOY-JOZOFPPJSA-N. The full InChI is InChI=1S/C15H16.C2H6.C2H2/c1-4-7-13-10-11(2)14-8-5-6-9-15(14)12(13)3;2*1-2/h4-9H,1,10H2,2-3H3;1-2H3;1-2H/b13-7+;;.
What are the key properties of acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane?
acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane has a molecular weight of 252.40 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane is sourced from PubChem (CID 143742296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).