[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C11H20O3 — CID 94037522

IUPAC[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESC[C@@H]1CC2(C[C@@H](C)C1CO)OCCO2
InChIInChI=1S/C11H20O3/c1-8-5-11(13-3-4-14-11)6-9(2)10(8)7-12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyLCLRRODHUMQPOW-RKDXNWHRSA-N
MW200.28 g/mol
LogP1.40
Rot. Bonds1

About [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 94037522) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID94037522
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESC[C@@H]1CC2(C[C@@H](C)C1CO)OCCO2
InChIInChI=1S/C11H20O3/c1-8-5-11(13-3-4-14-11)6-9(2)10(8)7-12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyLCLRRODHUMQPOW-RKDXNWHRSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
CID 13089485
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 58892133
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
CID 162007927
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 118230325

Frequently Asked Questions

What is the IUPAC name of [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 94037522) is [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol is C[C@@H]1CC2(C[C@@H](C)C1CO)OCCO2.
What is the InChIKey of [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is LCLRRODHUMQPOW-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-5-11(13-3-4-14-11)6-9(2)10(8)7-12/h8-10,12H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 94037522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).