2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane

C14H26O — CID 118685672

IUPAC2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane
SMILESCC(C)C1CCCC2(CCC(C)(C)O2)C1
InChIInChI=1S/C14H26O/c1-11(2)12-6-5-7-14(10-12)9-8-13(3,4)15-14/h11-12H,5-10H2,1-4H3
InChIKeyVLSUGZAJTQCQRW-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.16
Rot. Bonds1

About 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane

2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane (PubChem CID 118685672) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane
PubChem CID118685672
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane
SMILESCC(C)C1CCCC2(CCC(C)(C)O2)C1
InChIInChI=1S/C14H26O/c1-11(2)12-6-5-7-14(10-12)9-8-13(3,4)15-14/h11-12H,5-10H2,1-4H3
InChIKeyVLSUGZAJTQCQRW-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
2,3-dimethyl-10-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
CID 107450539
9-propan-2-yl-1-oxaspiro[5.6]dodecan-4-ol
CID 65090379
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
7-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470518
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
[3-propan-2-yl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 107449061
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane?
The IUPAC name of 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane (CID 118685672) is 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane?
The canonical SMILES for 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane is CC(C)C1CCCC2(CCC(C)(C)O2)C1.
What is the InChIKey of 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane?
The InChIKey is VLSUGZAJTQCQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)12-6-5-7-14(10-12)9-8-13(3,4)15-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane?
2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane has a molecular weight of 210.36 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 118685672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).