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

C15H28O2 — CID 101188588

IUPAC(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h11-12,14H,4-10,13H2,1-3H3/b12-11+/t14-/m0/s1
InChIKeyNDLNQTYCPRUFFO-GETOMWPZSA-N
MW240.39 g/mol
LogP4.44
Rot. Bonds8

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

(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 101188588) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID101188588
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h11-12,14H,4-10,13H2,1-3H3/b12-11+/t14-/m0/s1
InChIKeyNDLNQTYCPRUFFO-GETOMWPZSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane (CID 101188588) is (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane is CCCCCCCC/C=C/[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is NDLNQTYCPRUFFO-GETOMWPZSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h11-12,14H,4-10,13H2,1-3H3/b12-11+/t14-/m0/s1.
What are the key properties of (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 101188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).