2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol

C14H26O4 — CID 154708000

IUPAC2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
SMILESCC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)CO)O2)O1
InChIInChI=1S/C14H26O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h10-11,15H,6-9H2,1-5H3/t10-,11-,14-/m0/s1
InChIKeyZCTBTIVERBUKAL-MJVIPROJSA-N
MW258.36 g/mol
LogP2.09
Rot. Bonds3

About 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol

2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol (PubChem CID 154708000) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
PubChem CID154708000
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
SMILESCC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)CO)O2)O1
InChIInChI=1S/C14H26O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h10-11,15H,6-9H2,1-5H3/t10-,11-,14-/m0/s1
InChIKeyZCTBTIVERBUKAL-MJVIPROJSA-N
XLogP2.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal
CID 154708199
(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane
CID 11368493
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
CID 141061915
(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)but-3-yne-1,2-diol
CID 11148148
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
CID 10560652
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 42599666
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 171036232
(1R,4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 165344211

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol (CID 154708000) is 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol is CC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)CO)O2)O1.
What is the InChIKey of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol?
The InChIKey is ZCTBTIVERBUKAL-MJVIPROJSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h10-11,15H,6-9H2,1-5H3/t10-,11-,14-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol?
2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 154708000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).