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

C11H20O2 — CID 11401176

IUPAC(3R,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-ZJUUUORDSA-N
MW184.28 g/mol
LogP2.33
Rot. Bonds2

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

(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (PubChem CID 11401176) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
PubChem CID11401176
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,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-ZJUUUORDSA-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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Related Compounds

CID 11344250
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CID 139606107
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CID 172486529
CID 172486529
CID 176612768
CID 176612768
CID 176613099
CID 176613099
CID 176613133
CID 176613133
CID 11148111
CID 11148111
CID 11171223
CID 11171223
CID 11229041
CID 11229041
CID 11309782
CID 11309782
CID 11344144
CID 11344144
CID 72809991
CID 72809991

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The IUPAC name of (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (CID 11401176) is (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.
What is the SMILES notation for (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The canonical SMILES for (3R,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 (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The InChIKey is YGEUYRBFJKEIGN-ZJUUUORDSA-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 (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
(3R,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 (3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol is sourced from PubChem (CID 11401176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).