(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol

C11H20O2 — CID 11148111

IUPAC(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
SMILESC=C1O[C@H](CC(C)C)C(C)(C)[C@@H]1O
InChIInChI=1S/C11H20O2/c1-7(2)6-9-11(4,5)10(12)8(3)13-9/h7,9-10,12H,3,6H2,1-2,4-5H3/t9-,10-/m1/s1
InChIKeyYGEUYRBFJKEIGN-NXEZZACHSA-N
MW184.28 g/mol
LogP2.33
Rot. Bonds2

About (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol

(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (PubChem CID 11148111) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
PubChem CID11148111
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
SMILESC=C1O[C@H](CC(C)C)C(C)(C)[C@@H]1O
InChIInChI=1S/C11H20O2/c1-7(2)6-9-11(4,5)10(12)8(3)13-9/h7,9-10,12H,3,6H2,1-2,4-5H3/t9-,10-/m1/s1
InChIKeyYGEUYRBFJKEIGN-NXEZZACHSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The IUPAC name of (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (CID 11148111) is (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.
What is the SMILES notation for (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The canonical SMILES for (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol is C=C1O[C@H](CC(C)C)C(C)(C)[C@@H]1O.
What is the InChIKey of (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The InChIKey is YGEUYRBFJKEIGN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)6-9-11(4,5)10(12)8(3)13-9/h7,9-10,12H,3,6H2,1-2,4-5H3/t9-,10-/m1/s1.
What are the key properties of (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
(3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol is sourced from PubChem (CID 11148111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).