(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane

C14H26O2 — CID 121421967

IUPAC(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)[C@H]1CCC2(C[C@H]1C(C)C)OCCO2
InChIInChI=1S/C14H26O2/c1-10(2)12-5-6-14(15-7-8-16-14)9-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyAQHLHGMNQSNVFQ-OLZOCXBDSA-N
MW226.36 g/mol
LogP3.46
Rot. Bonds2

About (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane

(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 121421967) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID121421967
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)[C@H]1CCC2(C[C@H]1C(C)C)OCCO2
InChIInChI=1S/C14H26O2/c1-10(2)12-5-6-14(15-7-8-16-14)9-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyAQHLHGMNQSNVFQ-OLZOCXBDSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 175668782
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43710247
7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61376926
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
CID 131191391

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane (CID 121421967) is (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane is CC(C)[C@H]1CCC2(C[C@H]1C(C)C)OCCO2.
What is the InChIKey of (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is AQHLHGMNQSNVFQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)12-5-6-14(15-7-8-16-14)9-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 226.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 121421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).