(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane

C15H30O2 — CID 162111280

IUPAC(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
SMILESC.CC(C)[C@H]1OC2(CCCCC2)O[C@H]1C(C)C
InChIInChI=1S/C14H26O2.CH4/c1-10(2)12-13(11(3)4)16-14(15-12)8-6-5-7-9-14;/h10-13H,5-9H2,1-4H3;1H4/t12-,13+;
InChIKeyZGEMFBNTVHNPST-OEEJBDNKSA-N
MW242.40 g/mol
LogP4.38
Rot. Bonds2

About (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane

(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane (PubChem CID 162111280) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane.

Molecular Properties

Compound Name(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
PubChem CID162111280
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
SMILESC.CC(C)[C@H]1OC2(CCCCC2)O[C@H]1C(C)C
InChIInChI=1S/C14H26O2.CH4/c1-10(2)12-13(11(3)4)16-14(15-12)8-6-5-7-9-14;/h10-13H,5-9H2,1-4H3;1H4/t12-,13+;
InChIKeyZGEMFBNTVHNPST-OEEJBDNKSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
CID 130917673
6-(1-hydroxyethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 20744986
(1R,2S,3S,7S,8S,9S)-11,11-di(propan-2-yl)spiro[4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-5,1'-cyclohexane]-2,8-diol
CID 131971280
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
CID 131971311
CID 131971311
2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 140637445
methyl (Z)-3-[(7S,8R,9R)-8-hydroxy-9-[(1R)-1-hydroxyethyl]-6,10-dioxaspiro[4.5]decan-7-yl]prop-2-enoate
CID 10755623
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
(3aR,4R,5S,6R,7S,7aS)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 125028313
(3aS,4R,5R,6S,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 26159467
(4S,5S,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 71315075

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane?
The IUPAC name of (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane (CID 162111280) is (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane.
What is the SMILES notation for (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane?
The canonical SMILES for (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane is C.CC(C)[C@H]1OC2(CCCCC2)O[C@H]1C(C)C.
What is the InChIKey of (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane?
The InChIKey is ZGEMFBNTVHNPST-OEEJBDNKSA-N. The full InChI is InChI=1S/C14H26O2.CH4/c1-10(2)12-13(11(3)4)16-14(15-12)8-6-5-7-9-14;/h10-13H,5-9H2,1-4H3;1H4/t12-,13+;.
What are the key properties of (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane?
(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane has a molecular weight of 242.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane is sourced from PubChem (CID 162111280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).