2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran

C14H22O2 — CID 145008768

IUPAC2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran
SMILESC/C=C\C=C/C(C)COCC1CCC=CO1
InChIInChI=1S/C14H22O2/c1-3-4-5-8-13(2)11-15-12-14-9-6-7-10-16-14/h3-5,7-8,10,13-14H,6,9,11-12H2,1-2H3/b4-3-,8-5-
InChIKeyOMYMPEFKLMCUHN-UBNNFMAXSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds6

About 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran

2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran (PubChem CID 145008768) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran
PubChem CID145008768
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran
SMILESC/C=C\C=C/C(C)COCC1CCC=CO1
InChIInChI=1S/C14H22O2/c1-3-4-5-8-13(2)11-15-12-14-9-6-7-10-16-14/h3-5,7-8,10,13-14H,6,9,11-12H2,1-2H3/b4-3-,8-5-
InChIKeyOMYMPEFKLMCUHN-UBNNFMAXSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 59744004
3,4-dihydro-2H-pyran-2-ylmethoxy-tri(propan-2-yl)silane
CID 85448489
3,4-dihydro-2H-pyran-2-ylmethyl (3E)-2-methylhexa-3,5-dienoate
CID 141084073
2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid
CID 129384941
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 62065291
2-(phenoxymethyl)-3,4-dihydro-2H-pyran
CID 118861719
[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium
CID 51382635
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
CID 142737385

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran (CID 145008768) is 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran is C/C=C\C=C/C(C)COCC1CCC=CO1.
What is the InChIKey of 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran?
The InChIKey is OMYMPEFKLMCUHN-UBNNFMAXSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-8-13(2)11-15-12-14-9-6-7-10-16-14/h3-5,7-8,10,13-14H,6,9,11-12H2,1-2H3/b4-3-,8-5-.
What are the key properties of 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran?
2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran has a molecular weight of 222.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,5Z)-2-methylhepta-3,5-dienoxy]methyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 145008768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).