(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane

C11H20O2 — CID 58906736

IUPAC(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC/C=C\CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h5-6,10H,4,7-9H2,1-3H3/b6-5-/t10-/m1/s1
InChIKeyVHBSTCJNPBPAIP-WWQCOOJYSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds4

About (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 58906736) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID58906736
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC/C=C\CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h5-6,10H,4,7-9H2,1-3H3/b6-5-/t10-/m1/s1
InChIKeyVHBSTCJNPBPAIP-WWQCOOJYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane (CID 58906736) is (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane is CC/C=C\CC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is VHBSTCJNPBPAIP-WWQCOOJYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h5-6,10H,4,7-9H2,1-3H3/b6-5-/t10-/m1/s1.
What are the key properties of (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z)-hex-3-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 58906736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).