(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran

C14H24O2 — CID 59027016

IUPAC(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H](/C=C/[C@@H]1CC(C)=CCO1)C(C)(C)C
InChIInChI=1S/C14H24O2/c1-11-8-9-16-12(10-11)6-7-13(15-5)14(2,3)4/h6-8,12-13H,9-10H2,1-5H3/b7-6+/t12-,13+/m1/s1
InChIKeyHDCOIRCMQSNJAP-VWWYUBIBSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds3

About (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran

(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 59027016) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran
PubChem CID59027016
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H](/C=C/[C@@H]1CC(C)=CCO1)C(C)(C)C
InChIInChI=1S/C14H24O2/c1-11-8-9-16-12(10-11)6-7-13(15-5)14(2,3)4/h6-8,12-13H,9-10H2,1-5H3/b7-6+/t12-,13+/m1/s1
InChIKeyHDCOIRCMQSNJAP-VWWYUBIBSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran (CID 59027016) is (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran is CO[C@@H](/C=C/[C@@H]1CC(C)=CCO1)C(C)(C)C.
What is the InChIKey of (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is HDCOIRCMQSNJAP-VWWYUBIBSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-8-9-16-12(10-11)6-7-13(15-5)14(2,3)4/h6-8,12-13H,9-10H2,1-5H3/b7-6+/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran?
(2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 224.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E,3S)-3-methoxy-4,4-dimethylpent-1-enyl]-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59027016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).