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

C10H18O2 — CID 11309782

IUPAC(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
SMILESC=C1O[C@H](CC(C)C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O2/c1-6(2)5-9-7(3)10(11)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t7-,9-,10+/m1/s1
InChIKeyHVOVAMANAKHEMJ-QNSHHTMESA-N
MW170.25 g/mol
LogP1.94
Rot. Bonds2

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

(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (PubChem CID 11309782) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
PubChem CID11309782
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
SMILESC=C1O[C@H](CC(C)C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O2/c1-6(2)5-9-7(3)10(11)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t7-,9-,10+/m1/s1
InChIKeyHVOVAMANAKHEMJ-QNSHHTMESA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 58013917
CID 58013917
(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
CID 58151972
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
CID 13412077
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 144833522
4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol
CID 129132379
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
(2R,3S,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176612858
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176613058
(1S,2S,4R,6S,9S)-3,3-dimethyl-10-methylidene-9-(2-methylpropyl)-8-oxatricyclo[4.3.1.02,4]decane
CID 98134213

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The IUPAC name of (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol (CID 11309782) is (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol.
What is the SMILES notation for (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The canonical SMILES for (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol is C=C1O[C@H](CC(C)C)[C@@H](C)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
The InChIKey is HVOVAMANAKHEMJ-QNSHHTMESA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)5-9-7(3)10(11)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t7-,9-,10+/m1/s1.
What are the key properties of (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol?
(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol is sourced from PubChem (CID 11309782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).