ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

C12H24O2 — CID 142104338

IUPACethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC.CC1OC2(CC[C@@H](C)C2)O[C@@H]1C
InChIInChI=1S/C10H18O2.C2H6/c1-7-4-5-10(6-7)11-8(2)9(3)12-10;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9?,10?;/m1./s1
InChIKeyFKBQWOQBTLHBNI-HYQVXADHSA-N
MW200.32 g/mol
LogP3.35
Rot. Bonds

About ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 142104338) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID142104338
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC.CC1OC2(CC[C@@H](C)C2)O[C@@H]1C
InChIInChI=1S/C10H18O2.C2H6/c1-7-4-5-10(6-7)11-8(2)9(3)12-10;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9?,10?;/m1./s1
InChIKeyFKBQWOQBTLHBNI-HYQVXADHSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (CID 142104338) is ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is CC.CC1OC2(CC[C@@H](C)C2)O[C@@H]1C.
What is the InChIKey of ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is FKBQWOQBTLHBNI-HYQVXADHSA-N. The full InChI is InChI=1S/C10H18O2.C2H6/c1-7-4-5-10(6-7)11-8(2)9(3)12-10;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9?,10?;/m1./s1.
What are the key properties of ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 200.32 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 142104338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).