(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

C11H17O4- — CID 58894625

IUPAC(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC1(C)COC2(CC[C@H](C(=O)[O-])C2)OC1
InChIInChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/p-1/t8-/m0/s1
InChIKeyKAUAVLRCOZZFLP-QMMMGPOBSA-M
MW213.25 g/mol
LogP0.31
Rot. Bonds1

About (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 58894625) has the molecular formula C11H17O4- and a molecular weight of 213.25 g/mol. Its IUPAC name is (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID58894625
Molecular FormulaC11H17O4-
Molecular Weight213.25 g/mol
Exact Mass213.11
IUPAC Name(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC1(C)COC2(CC[C@H](C(=O)[O-])C2)OC1
InChIInChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/p-1/t8-/m0/s1
InChIKeyKAUAVLRCOZZFLP-QMMMGPOBSA-M
XLogP0.31
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate with MolForge

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Related Compounds

Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
CID 14489533
Ethyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 245433
8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic Acid
CID 11535852
(3-Hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11543956
[3-(8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11576893
Methyl 3,3-dimethoxycyclopentanecarboxylate
CID 12347356
(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 15227852
Methyl 3-(oxan-2-yloxy)cyclopentane-1-carboxylate
CID 20328696
Methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 22906262
Tert-butyl 3,3-dimethoxycyclopentanecarboxylate
CID 58784445
(S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic acid
CID 58894626

Frequently Asked Questions

What is the IUPAC name of (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (CID 58894625) is (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is CC1(C)COC2(CC[C@H](C(=O)[O-])C2)OC1.
What is the InChIKey of (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is KAUAVLRCOZZFLP-QMMMGPOBSA-M. The full InChI is InChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/p-1/t8-/m0/s1.
What are the key properties of (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 213.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 58894625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).