8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene

C16H26O2 — CID 155935847

IUPAC8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC(C)=CCC[C@@H](C)C1=CCC2(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/h5,7,14H,4,6,8-12H2,1-3H3/t14-/m1/s1
InChIKeySBSKJEMWIVMESA-CQSZACIVSA-N
MW250.38 g/mol
LogP4.22
Rot. Bonds4

About 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene

8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 155935847) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID155935847
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC(C)=CCC[C@@H](C)C1=CCC2(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/h5,7,14H,4,6,8-12H2,1-3H3/t14-/m1/s1
InChIKeySBSKJEMWIVMESA-CQSZACIVSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene (CID 155935847) is 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene is CC(C)=CCC[C@@H](C)C1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is SBSKJEMWIVMESA-CQSZACIVSA-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/h5,7,14H,4,6,8-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene?
8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 250.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 155935847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).