(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane

C15H24O — CID 3009224

IUPAC(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15-/m1/s1
InChIKeyGCCYGVVSKKTGJQ-QLFBSQMISA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds4

About (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane

(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 3009224) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID3009224
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15-/m1/s1
InChIKeyGCCYGVVSKKTGJQ-QLFBSQMISA-N
XLogP4.25
TPSA12.53 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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane (CID 3009224) is (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane is C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)O[C@H]2C1.
What is the InChIKey of (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is GCCYGVVSKKTGJQ-QLFBSQMISA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15-/m1/s1.
What are the key properties of (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane?
(1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 220.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 3009224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).