(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C15H24O2 — CID 10823739

IUPAC(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCCC/C=C1\C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H24O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h7,10H,5-6,8-9,11H2,1-4H3/b13-7+
InChIKeyUXMUPCKIJQBGKV-NTUHNPAUSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds2

About (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10823739) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10823739
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCCC/C=C1\C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H24O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h7,10H,5-6,8-9,11H2,1-4H3/b13-7+
InChIKeyUXMUPCKIJQBGKV-NTUHNPAUSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
CID 58005043
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
7,8,9,9-Tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759592
8-Ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759593
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 58005039
2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
7-Ethenyl-6,6-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10679352
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
2-Methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134979641
2-methyl-2-[(1R,6R)-1,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134979642

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10823739) is (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CCC/C=C1\C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is UXMUPCKIJQBGKV-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h7,10H,5-6,8-9,11H2,1-4H3/b13-7+.
What are the key properties of (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
(8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 236.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-butylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10823739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).