4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran

C15H24O — CID 24990786

IUPAC4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(CC2CC=C(C)C2(C)C)C1
InChIInChI=1S/C15H24O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h5,7,13-14H,6,8-10H2,1-4H3
InChIKeyKGRRKFWSBDRXEE-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.10
Rot. Bonds2

About 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran

4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran (PubChem CID 24990786) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran
PubChem CID24990786
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(CC2CC=C(C)C2(C)C)C1
InChIInChI=1S/C15H24O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h5,7,13-14H,6,8-10H2,1-4H3
InChIKeyKGRRKFWSBDRXEE-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran (CID 24990786) is 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran is CC1=CCOC(CC2CC=C(C)C2(C)C)C1.
What is the InChIKey of 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran?
The InChIKey is KGRRKFWSBDRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h5,7,13-14H,6,8-10H2,1-4H3.
What are the key properties of 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran?
4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran has a molecular weight of 220.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 24990786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).