(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane

C15H24O — CID 163046295

IUPAC(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
SMILESC=C(C)[C@@H]1CC[C@](C)([C@@H]2CC=C(C)CC2)O1
InChIInChI=1S/C15H24O/c1-11(2)14-9-10-15(4,16-14)13-7-5-12(3)6-8-13/h5,13-14H,1,6-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKeyAKAQULCXJUDSBA-QLFBSQMISA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds2

About (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane

(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane (PubChem CID 163046295) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane.

Molecular Properties

Compound Name(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
PubChem CID163046295
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
SMILESC=C(C)[C@@H]1CC[C@](C)([C@@H]2CC=C(C)CC2)O1
InChIInChI=1S/C15H24O/c1-11(2)14-9-10-15(4,16-14)13-7-5-12(3)6-8-13/h5,13-14H,1,6-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKeyAKAQULCXJUDSBA-QLFBSQMISA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane?
The IUPAC name of (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane (CID 163046295) is (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane.
What is the SMILES notation for (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane?
The canonical SMILES for (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane is C=C(C)[C@@H]1CC[C@](C)([C@@H]2CC=C(C)CC2)O1.
What is the InChIKey of (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane?
The InChIKey is AKAQULCXJUDSBA-QLFBSQMISA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)14-9-10-15(4,16-14)13-7-5-12(3)6-8-13/h5,13-14H,1,6-10H2,2-4H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane?
(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane has a molecular weight of 220.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane is sourced from PubChem (CID 163046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).