(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane

C15H24O — CID 162888684

IUPAC(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
SMILESC=C[C@]1(C)CC[C@H](/C(C)=C/CC=C(C)C)O1
InChIInChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8-9,14H,1,7,10-11H2,2-5H3/b13-9+/t14-,15-/m1/s1
InChIKeySADCLHOFZYXXAL-IVBVFNMWSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds4

About (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane

(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane (PubChem CID 162888684) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane.

Molecular Properties

Compound Name(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
PubChem CID162888684
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
SMILESC=C[C@]1(C)CC[C@H](/C(C)=C/CC=C(C)C)O1
InChIInChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8-9,14H,1,7,10-11H2,2-5H3/b13-9+/t14-,15-/m1/s1
InChIKeySADCLHOFZYXXAL-IVBVFNMWSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane?
The IUPAC name of (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane (CID 162888684) is (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane.
What is the SMILES notation for (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane?
The canonical SMILES for (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane is C=C[C@]1(C)CC[C@H](/C(C)=C/CC=C(C)C)O1.
What is the InChIKey of (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane?
The InChIKey is SADCLHOFZYXXAL-IVBVFNMWSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8-9,14H,1,7,10-11H2,2-5H3/b13-9+/t14-,15-/m1/s1.
What are the key properties of (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane?
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane is sourced from PubChem (CID 162888684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).