(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane

C10H18O — CID 58223664

IUPAC(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane
SMILESC=CC[C@H]1CC[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C10H18O/c1-4-5-10-7-6-8(2)9(3)11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyPEPDUYZRPPUKSS-BBBLOLIVSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane

(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane (PubChem CID 58223664) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane
PubChem CID58223664
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane
SMILESC=CC[C@H]1CC[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C10H18O/c1-4-5-10-7-6-8(2)9(3)11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyPEPDUYZRPPUKSS-BBBLOLIVSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane?
The IUPAC name of (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane (CID 58223664) is (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane.
What is the SMILES notation for (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane?
The canonical SMILES for (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane is C=CC[C@H]1CC[C@@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane?
The InChIKey is PEPDUYZRPPUKSS-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-10-7-6-8(2)9(3)11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane?
(2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,3-dimethyl-6-prop-2-enyloxane is sourced from PubChem (CID 58223664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).