ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran

C13H28O — CID 144512941

IUPACethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC.CC.CC1COC=C(C(C)C)C1
InChIInChI=1S/C9H16O.2C2H6/c1-7(2)9-4-8(3)5-10-6-9;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyYNKMEUIQFAIHNT-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.64
Rot. Bonds1

About ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran

ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 144512941) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID144512941
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nameethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC.CC.CC1COC=C(C(C)C)C1
InChIInChI=1S/C9H16O.2C2H6/c1-7(2)9-4-8(3)5-10-6-9;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyYNKMEUIQFAIHNT-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran (CID 144512941) is ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran is CC.CC.CC1COC=C(C(C)C)C1.
What is the InChIKey of ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is YNKMEUIQFAIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.2C2H6/c1-7(2)9-4-8(3)5-10-6-9;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 200.37 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 144512941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).