(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane

C14H26O5 — CID 11242799

IUPAC(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CC[C@H](C[C@H]1COC(C)(C)O1)OCOCCOC
InChIInChI=1S/C14H26O5/c1-5-6-12(17-11-16-8-7-15-4)9-13-10-18-14(2,3)19-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+/m1/s1
InChIKeyDYSJEJFJBGMPDI-OLZOCXBDSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds10

About (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11242799) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11242799
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CC[C@H](C[C@H]1COC(C)(C)O1)OCOCCOC
InChIInChI=1S/C14H26O5/c1-5-6-12(17-11-16-8-7-15-4)9-13-10-18-14(2,3)19-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+/m1/s1
InChIKeyDYSJEJFJBGMPDI-OLZOCXBDSA-N
XLogP2.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(But-3-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 10898938
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
5,6,7-Trideoxy-3-O-methyl-1,2-O-(1-methylethylidene)-|A-D-xylo-hept-6-enofuranose
CID 44477776
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10888665
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11019582
2-Methyl-2-pent-4-enyl-1,3-dioxolane
CID 13149316
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl] acetate
CID 101441099
2,2-dimethyl-4-[(1S)-1-propoxybut-3-enyl]-1,3-dioxolane
CID 135037141
(2R,6'R)-6'-methoxy-2',2'-dimethylspiro[3H-furan-2,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]
CID 135068915
(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 138977914
(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane
CID 10860446
(4S,5S)-4,5-bis[(1S)-1-methoxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 12051046

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane (CID 11242799) is (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane is C=CC[C@H](C[C@H]1COC(C)(C)O1)OCOCCOC.
What is the InChIKey of (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DYSJEJFJBGMPDI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-6-12(17-11-16-8-7-15-4)9-13-10-18-14(2,3)19-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 274.36 g/mol, XLogP of 2.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11242799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).