ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran

C17H32O — CID 143681818

IUPACethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran
SMILESCC.CC1=CCOC(CC2CCC(C)C2(C)C)C1
InChIInChI=1S/C15H26O.C2H6/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4;1-2/h7,12-14H,5-6,8-10H2,1-4H3;1-2H3
InChIKeyMZHMPGACXOQEMV-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.21
Rot. Bonds2

About ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran

ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran (PubChem CID 143681818) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran
PubChem CID143681818
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran
SMILESCC.CC1=CCOC(CC2CCC(C)C2(C)C)C1
InChIInChI=1S/C15H26O.C2H6/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4;1-2/h7,12-14H,5-6,8-10H2,1-4H3;1-2H3
InChIKeyMZHMPGACXOQEMV-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.21
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 ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran?
The IUPAC name of ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran (CID 143681818) is ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran is CC.CC1=CCOC(CC2CCC(C)C2(C)C)C1.
What is the InChIKey of ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran?
The InChIKey is MZHMPGACXOQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O.C2H6/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4;1-2/h7,12-14H,5-6,8-10H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran?
ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran has a molecular weight of 252.44 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 143681818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).