(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol

C10H18O2 — CID 58223650

IUPAC(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol
SMILESC=CCC1(O)CC[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-4-6-10(11)7-5-8(2)9(3)12-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1
InChIKeyYDJWBWLIOHHXMT-MGRQHWMJSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds2

About (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol

(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol (PubChem CID 58223650) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol.

Molecular Properties

Compound Name(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol
PubChem CID58223650
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol
SMILESC=CCC1(O)CC[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-4-6-10(11)7-5-8(2)9(3)12-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1
InChIKeyYDJWBWLIOHHXMT-MGRQHWMJSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol?
The IUPAC name of (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol (CID 58223650) is (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol.
What is the SMILES notation for (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol?
The canonical SMILES for (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol is C=CCC1(O)CC[C@@H](C)[C@@H](C)O1.
What is the InChIKey of (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol?
The InChIKey is YDJWBWLIOHHXMT-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-10(11)7-5-8(2)9(3)12-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1.
What are the key properties of (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol?
(5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-dimethyl-2-prop-2-enyloxan-2-ol is sourced from PubChem (CID 58223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).