3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C17H30O3 — CID 139606272

IUPAC3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C17H30O3/c1-6-7-8-9-17(18)13(2)10-16(12-15(17,4)5)19-11-14(3)20-16/h10,14,18H,6-9,11-12H2,1-5H3
InChIKeyQJIXVOXILCQQJC-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.81
Rot. Bonds4

About 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 139606272) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID139606272
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C17H30O3/c1-6-7-8-9-17(18)13(2)10-16(12-15(17,4)5)19-11-14(3)20-16/h10,14,18H,6-9,11-12H2,1-5H3
InChIKeyQJIXVOXILCQQJC-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,5S,7R,10E,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
CID 11771535
(4S,5R,7S,10E,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
CID 21577212
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol
CID 71339001
Clitocybulol B
CID 10754107
7,11,14,15-Tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
CID 73033270
Riesling acetal
CID 57473083
Phomactin G
CID 23004355
(4S,5S,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
CID 23281528
2-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)propan-2-ol
CID 101702211
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
2,3,7,9-tetramethyl-8-[(E)-2-(tributylstannyl)vinyl]-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 70873452
2,3,7,9-Tetramethyl-8-(2-tributylstannylethenyl)-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 77935707

Frequently Asked Questions

What is the IUPAC name of 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 139606272) is 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2.
What is the InChIKey of 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is QJIXVOXILCQQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-6-7-8-9-17(18)13(2)10-16(12-15(17,4)5)19-11-14(3)20-16/h10,14,18H,6-9,11-12H2,1-5H3.
What are the key properties of 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 282.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,9-tetramethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 139606272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).