(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane

C17H28O2 — CID 102356670

IUPAC(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
SMILESC=C/C=C\CC1CC(COC)(COC)C/C1=C\CC
InChIInChI=1S/C17H28O2/c1-5-7-8-10-16-12-17(13-18-3,14-19-4)11-15(16)9-6-2/h5,7-9,16H,1,6,10-14H2,2-4H3/b8-7-,15-9+
InChIKeyUHBINXABEXXSFA-USTJKHOZSA-N
MW264.41 g/mol
LogP4.14
Rot. Bonds8

About (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane

(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane (PubChem CID 102356670) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane.

Molecular Properties

Compound Name(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
PubChem CID102356670
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
SMILESC=C/C=C\CC1CC(COC)(COC)C/C1=C\CC
InChIInChI=1S/C17H28O2/c1-5-7-8-10-16-12-17(13-18-3,14-19-4)11-15(16)9-6-2/h5,7-9,16H,1,6,10-14H2,2-4H3/b8-7-,15-9+
InChIKeyUHBINXABEXXSFA-USTJKHOZSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Bis(methoxymethyl)-1,7-dimethyl-2,4,5,6-tetrahydro-1H-indene
CID 71367517
2,2,7,7-tetrakis(methoxymethyl)-3a-methyl-3,4,6,8-tetrahydro-1H-as-indacene
CID 134999317
2,2,7,7-Tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene
CID 135000877
(1S)-5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 12104347
5,5-Bis(methoxymethyl)-1-methyl-2-propan-2-yl-3-prop-1-enylidenecyclohexene
CID 101726765
5,5-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15360342
(E)-5,5-bis(methoxymethyl)-8-methylnon-2-ene
CID 19985393
5,5-Bis(methoxymethyl)-8-methylnon-2-ene
CID 53961091
6,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene
CID 139660014
6-Methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 139896238
1,2-Dicyclopentyl-5,5-bis(methoxymethyl)cyclopenta-1,3-diene
CID 141361132
ethane;(3E,5Z)-6-ethenyl-11-methoxy-3,8,8,10,10-pentamethylundeca-1,3,5-triene
CID 141991176

Frequently Asked Questions

What is the IUPAC name of (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane?
The IUPAC name of (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane (CID 102356670) is (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane.
What is the SMILES notation for (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane?
The canonical SMILES for (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane is C=C/C=C\CC1CC(COC)(COC)C/C1=C\CC.
What is the InChIKey of (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane?
The InChIKey is UHBINXABEXXSFA-USTJKHOZSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-7-8-10-16-12-17(13-18-3,14-19-4)11-15(16)9-6-2/h5,7-9,16H,1,6,10-14H2,2-4H3/b8-7-,15-9+.
What are the key properties of (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane?
(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane has a molecular weight of 264.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane is sourced from PubChem (CID 102356670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).