4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane

C18H26O3 — CID 90957771

IUPAC4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCCC1OC(C)(C)OC1CC#CC#CC=CC(C)OC
InChIInChI=1S/C18H26O3/c1-6-12-16-17(21-18(3,4)20-16)14-11-9-7-8-10-13-15(2)19-5/h10,13,15-17H,6,12,14H2,1-5H3
InChIKeyYEAJVBJSKVKKOA-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.29
Rot. Bonds5

About 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane

4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane (PubChem CID 90957771) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane
PubChem CID90957771
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCCC1OC(C)(C)OC1CC#CC#CC=CC(C)OC
InChIInChI=1S/C18H26O3/c1-6-12-16-17(21-18(3,4)20-16)14-11-9-7-8-10-13-15(2)19-5/h10,13,15-17H,6,12,14H2,1-5H3
InChIKeyYEAJVBJSKVKKOA-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
(4R,5R)-4-heptyl-2,2-dimethyl-5-[(2Z)-2-(2-prop-2-enoxyethylidene)hexa-3,5-diynyl]-1,3-dioxolane
CID 24766767
Oct-2-en-4-one ethyleneketal
CID 129813424
Lcgpgdqqgcbliv-uhfffaoysa-
CID 21728965
(4Z,5S)-2,2-dimethyl-4-propylidene-5-tetradec-7-ynyl-1,3-dioxolane
CID 58429883
(4R,5R)-4-heptyl-5-[(6R)-6-methoxyoct-7-en-2,4-diynyl]-2,2-dimethyl-1,3-dioxolane
CID 58560672
(4Z,5R)-2,2-dimethyl-4-propylidene-5-tetradec-7-ynyl-1,3-dioxolane
CID 68236505
(4R,5R)-4-heptyl-5-[(4R)-4-methoxyhex-5-en-2-ynyl]-2,2-dimethyl-1,3-dioxolane
CID 70642772
(4R,5R)-4-[6-(2-methoxypropan-2-yloxy)hexa-2,4-diynyl]-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane
CID 89090845
(4R,5R)-4-heptyl-5-[(6S)-6-methoxyoct-7-en-2,4-diynyl]-2,2-dimethyl-1,3-dioxolane
CID 90296572
4-Hept-1-enyl-5-[6-(2-methoxypropan-2-yloxy)oct-7-en-2,4-diynyl]-2,2-dimethyl-1,3-dioxolane
CID 139609816
2-Hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene
CID 152587523

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane?
The IUPAC name of 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane (CID 90957771) is 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane.
What is the SMILES notation for 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane?
The canonical SMILES for 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane is CCCC1OC(C)(C)OC1CC#CC#CC=CC(C)OC.
What is the InChIKey of 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane?
The InChIKey is YEAJVBJSKVKKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-6-12-16-17(21-18(3,4)20-16)14-11-9-7-8-10-13-15(2)19-5/h10,13,15-17H,6,12,14H2,1-5H3.
What are the key properties of 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane?
4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane has a molecular weight of 290.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxynon-6-en-2,4-diynyl)-2,2-dimethyl-5-propyl-1,3-dioxolane is sourced from PubChem (CID 90957771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).