6-heptyl-3,6-dihydro-2H-pyran

C12H22O — CID 11030458

IUPAC6-heptyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCC1C=CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyBCCYJYDLRYKUGD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds6

About 6-heptyl-3,6-dihydro-2H-pyran

6-heptyl-3,6-dihydro-2H-pyran (PubChem CID 11030458) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-heptyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-heptyl-3,6-dihydro-2H-pyran
PubChem CID11030458
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-heptyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCC1C=CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyBCCYJYDLRYKUGD-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
9-Oxabicyclo(6.1.0)non-2-ene
CID 5875583
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
(3R)-3-heptyl-3,6-dihydro-1,2-dioxine
CID 12162655
(3R,6S)-3-heptyl-6-propyl-3,6-dihydro-1,2-dioxine
CID 16727772
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
CID 110916
CID 110916
3-Ethoxycyclohexene
CID 285902
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
3,3'-Oxydi(cyclohex-1-ene)
CID 12322414

Frequently Asked Questions

What is the IUPAC name of 6-heptyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-heptyl-3,6-dihydro-2H-pyran (CID 11030458) is 6-heptyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-heptyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-heptyl-3,6-dihydro-2H-pyran is CCCCCCCC1C=CCCO1.
What is the InChIKey of 6-heptyl-3,6-dihydro-2H-pyran?
The InChIKey is BCCYJYDLRYKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7,10,12H,2-6,8-9,11H2,1H3.
What are the key properties of 6-heptyl-3,6-dihydro-2H-pyran?
6-heptyl-3,6-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11030458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).