ethane;3-methyl-3,6-dihydro-2H-pyran

C10H22O — CID 176964235

IUPACethane;3-methyl-3,6-dihydro-2H-pyran
SMILESCC.CC.CC1C=CCOC1
InChIInChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3
InChIKeyWPMFHPRMVXMTNT-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.26
Rot. Bonds

About ethane;3-methyl-3,6-dihydro-2H-pyran

ethane;3-methyl-3,6-dihydro-2H-pyran (PubChem CID 176964235) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;3-methyl-3,6-dihydro-2H-pyran
PubChem CID176964235
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;3-methyl-3,6-dihydro-2H-pyran
SMILESCC.CC.CC1C=CCOC1
InChIInChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3
InChIKeyWPMFHPRMVXMTNT-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-3,6-dihydro-2H-pyran
CID 145255537
3-ethyl-3,6-dihydro-2H-pyran
CID 13166770
3-chloro-3,6-dihydro-2H-pyran
CID 20537275
(7S)-3-oxabicyclo[5.1.0]oct-5-ene
CID 118908020
2-methyl-3,5-dihydro-2H-1,4-dioxepine
CID 68571382
3-(iodomethyl)-3,6-dihydro-2H-pyran
CID 138500374
6-methyl-6,7-dihydro-3H-oxathiepine 2,2-dioxide
CID 89251624
3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran
CID 123286021
(3S)-3-methyl-2,3-dihydrofuran
CID 11423556
3,6-dimethyl-3,6-dihydro-2H-pyran
CID 161336544
(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol
CID 122495967
ethane;3-methylcyclohexene
CID 145337562

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of ethane;3-methyl-3,6-dihydro-2H-pyran (CID 176964235) is ethane;3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for ethane;3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for ethane;3-methyl-3,6-dihydro-2H-pyran is CC.CC.CC1C=CCOC1.
What is the InChIKey of ethane;3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is WPMFHPRMVXMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-3,6-dihydro-2H-pyran?
ethane;3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 158.28 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 176964235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).