(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

C15H24O — CID 135075597

IUPAC(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC=C(C)CCC1=C(C)O[C@@H](/C=C/C)C[C@@H]1C
InChIInChI=1S/C15H24O/c1-6-7-14-10-12(4)15(13(5)16-14)9-8-11(2)3/h6-7,12,14H,2,8-10H2,1,3-5H3/b7-6+/t12-,14-/m0/s1
InChIKeyIOTUXJZHHBFJLE-UTTOWCGFSA-N
MW220.36 g/mol
LogP4.62
Rot. Bonds4

About (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (PubChem CID 135075597) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
PubChem CID135075597
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC=C(C)CCC1=C(C)O[C@@H](/C=C/C)C[C@@H]1C
InChIInChI=1S/C15H24O/c1-6-7-14-10-12(4)15(13(5)16-14)9-8-11(2)3/h6-7,12,14H,2,8-10H2,1,3-5H3/b7-6+/t12-,14-/m0/s1
InChIKeyIOTUXJZHHBFJLE-UTTOWCGFSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

Rose oxide
CID 27866
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
Methyl piperitol
CID 12284330
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
Rose oxide, trans-(+)-
CID 1712086
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (CID 135075597) is (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is C=C(C)CCC1=C(C)O[C@@H](/C=C/C)C[C@@H]1C.
What is the InChIKey of (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The InChIKey is IOTUXJZHHBFJLE-UTTOWCGFSA-N. The full InChI is InChI=1S/C15H24O/c1-6-7-14-10-12(4)15(13(5)16-14)9-8-11(2)3/h6-7,12,14H,2,8-10H2,1,3-5H3/b7-6+/t12-,14-/m0/s1.
What are the key properties of (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran has a molecular weight of 220.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 135075597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).