8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane

C16H26O2 — CID 135005805

IUPAC8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=CCCC(C)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O2/c1-13(2)5-4-6-14(3)15-7-9-16(10-8-15)17-11-12-18-16/h5H,4,6-12H2,1-3H3
InChIKeyCSZPNDOUSCFAHS-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.37
Rot. Bonds3

About 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane

8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 135005805) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID135005805
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=CCCC(C)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O2/c1-13(2)5-4-6-14(3)15-7-9-16(10-8-15)17-11-12-18-16/h5H,4,6-12H2,1-3H3
InChIKeyCSZPNDOUSCFAHS-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 109257
8-Methylidene-1,4-dioxaspiro[4.5]decane
CID 10953743
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 77280
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
8-(Propan-2-ylidene)-1,4-dioxaspiro[4.5]decane
CID 45789409
8-Tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11313705
8-Non-1-en-3-ynylidene-1,4-dioxaspiro[4.5]decane
CID 11345995
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
2-methyl-2-[(E)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541151
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
8-Cyclopropylidene-1,4-dioxaspiro[4.5]decane
CID 22502249
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 24859456

Frequently Asked Questions

What is the IUPAC name of 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane (CID 135005805) is 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane is CC(C)=CCCC(C)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is CSZPNDOUSCFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(2)5-4-6-14(3)15-7-9-16(10-8-15)17-11-12-18-16/h5H,4,6-12H2,1-3H3.
What are the key properties of 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane?
8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 250.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 135005805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).