4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene

C19H26O3 — CID 163541209

IUPAC4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene
SMILESC=CC(=C)OC(C)COC1=C(C)CC(OC)C2=CC=CCC21
InChIInChI=1S/C19H26O3/c1-6-14(3)22-15(4)12-21-19-13(2)11-18(20-5)16-9-7-8-10-17(16)19/h6-9,15,17-18H,1,3,10-12H2,2,4-5H3
InChIKeyFBFQWDTWTIWVGK-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.30
Rot. Bonds7

About 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene

4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene (PubChem CID 163541209) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene.

Molecular Properties

Compound Name4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene
PubChem CID163541209
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene
SMILESC=CC(=C)OC(C)COC1=C(C)CC(OC)C2=CC=CCC21
InChIInChI=1S/C19H26O3/c1-6-14(3)22-15(4)12-21-19-13(2)11-18(20-5)16-9-7-8-10-17(16)19/h6-9,15,17-18H,1,3,10-12H2,2,4-5H3
InChIKeyFBFQWDTWTIWVGK-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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5-[5-(2,3-Difluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-methylhexoxy]-2-ethenyloxane
CID 143889667
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CID 144367788
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CID 175408899
1,5-Difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
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CID 166175005
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CID 143889256
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CID 57060986
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Frequently Asked Questions

What is the IUPAC name of 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene?
The IUPAC name of 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene (CID 163541209) is 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene.
What is the SMILES notation for 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene?
The canonical SMILES for 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene is C=CC(=C)OC(C)COC1=C(C)CC(OC)C2=CC=CCC21.
What is the InChIKey of 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene?
The InChIKey is FBFQWDTWTIWVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-6-14(3)22-15(4)12-21-19-13(2)11-18(20-5)16-9-7-8-10-17(16)19/h6-9,15,17-18H,1,3,10-12H2,2,4-5H3.
What are the key properties of 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene?
4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene has a molecular weight of 302.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-buta-1,3-dien-2-yloxypropoxy)-1-methoxy-3-methyl-1,2,4a,5-tetrahydronaphthalene is sourced from PubChem (CID 163541209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).