(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane

C14H26O — CID 11637087

IUPAC(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)C[C@@]1(C)OC[C@@H]1C
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-12(2)10-14(4)13(3)11-15-14/h13H,2,5-11H2,1,3-4H3/t13-,14+/m0/s1
InChIKeyJVPAAEZGBDAJOI-UONOGXRCSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds7

About (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane

(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane (PubChem CID 11637087) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
PubChem CID11637087
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)C[C@@]1(C)OC[C@@H]1C
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-12(2)10-14(4)13(3)11-15-14/h13H,2,5-11H2,1,3-4H3/t13-,14+/m0/s1
InChIKeyJVPAAEZGBDAJOI-UONOGXRCSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane?
The IUPAC name of (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane (CID 11637087) is (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane?
The canonical SMILES for (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane is C=C(CCCCCC)C[C@@]1(C)OC[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane?
The InChIKey is JVPAAEZGBDAJOI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-7-8-9-12(2)10-14(4)13(3)11-15-14/h13H,2,5-11H2,1,3-4H3/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane?
(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane is sourced from PubChem (CID 11637087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).