(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane

C11H20O3 — CID 14609680

IUPAC(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CC[C@@H](C[C@H]1COC(C)(C)O1)OC
InChIInChI=1S/C11H20O3/c1-5-6-9(12-4)7-10-8-13-11(2,3)14-10/h5,9-10H,1,6-8H2,2-4H3/t9-,10-/m0/s1
InChIKeyQPXRMAWAERKRRC-UWVGGRQHSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds5

About (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 14609680) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID14609680
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CC[C@@H](C[C@H]1COC(C)(C)O1)OC
InChIInChI=1S/C11H20O3/c1-5-6-9(12-4)7-10-8-13-11(2,3)14-10/h5,9-10H,1,6-8H2,2-4H3/t9-,10-/m0/s1
InChIKeyQPXRMAWAERKRRC-UWVGGRQHSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane (CID 14609680) is (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane is C=CC[C@@H](C[C@H]1COC(C)(C)O1)OC.
What is the InChIKey of (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QPXRMAWAERKRRC-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-9(12-4)7-10-8-13-11(2,3)14-10/h5,9-10H,1,6-8H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 14609680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).