(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane

C14H26O — CID 170720979

IUPAC(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
SMILESCCCC[C@@]1(C)CCCC2(CCCO2)C1
InChIInChI=1S/C14H26O/c1-3-4-7-13(2)8-5-9-14(12-13)10-6-11-15-14/h3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeyGVKOMERZJUTWNJ-LSLKUGRBSA-N
MW210.36 g/mol
LogP4.31
Rot. Bonds3

About (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane

(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane (PubChem CID 170720979) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
PubChem CID170720979
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
SMILESCCCC[C@@]1(C)CCCC2(CCCO2)C1
InChIInChI=1S/C14H26O/c1-3-4-7-13(2)8-5-9-14(12-13)10-6-11-15-14/h3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeyGVKOMERZJUTWNJ-LSLKUGRBSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
1-methyl-1-undecylcyclohexane
CID 86137257
2-butyl-2-methyloxane
CID 13494550
2-heptyl-2-methyloxolane
CID 66630336
2-butyl-2-ethyloxolane;methane
CID 159867268
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane
CID 176923724
7-methyl-7-propylspiro[2.5]octane
CID 20725719
1-methyl-1-pentylcyclopropane
CID 524644
methanol;4-oxaspiro[2.4]heptane
CID 144744375
8-propyl-1-oxa-8-azaspiro[4.5]decane
CID 149367248
2-hexyl-2-methyloxane
CID 67835603

Frequently Asked Questions

What is the IUPAC name of (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane?
The IUPAC name of (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane (CID 170720979) is (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane?
The canonical SMILES for (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane is CCCC[C@@]1(C)CCCC2(CCCO2)C1.
What is the InChIKey of (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane?
The InChIKey is GVKOMERZJUTWNJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-7-13(2)8-5-9-14(12-13)10-6-11-15-14/h3-12H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane?
(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane has a molecular weight of 210.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 170720979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).