(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran

C14H22O — CID 101219667

IUPAC(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran
SMILESC/C=C1\COCC=C1/C=C/CCCCC
InChIInChI=1S/C14H22O/c1-3-5-6-7-8-9-14-10-11-15-12-13(14)4-2/h4,8-10H,3,5-7,11-12H2,1-2H3/b9-8+,13-4+
InChIKeyUVRTXHVCKMFYBQ-AKACATDXSA-N
MW206.33 g/mol
LogP4.03
Rot. Bonds5

About (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran

(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran (PubChem CID 101219667) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran.

Molecular Properties

Compound Name(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran
PubChem CID101219667
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran
SMILESC/C=C1\COCC=C1/C=C/CCCCC
InChIInChI=1S/C14H22O/c1-3-5-6-7-8-9-14-10-11-15-12-13(14)4-2/h4,8-10H,3,5-7,11-12H2,1-2H3/b9-8+,13-4+
InChIKeyUVRTXHVCKMFYBQ-AKACATDXSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Nerol oxide
CID 61275
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
Quinceoxepine
CID 131752304
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
2-Ethyl-4-methyl-3,6-dihydropyran
CID 12347116
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
Cyclohexene, 1-(3-ethoxy-1-propenyl)-, (Z)-
CID 5358347
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
4-methyl-6-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyran
CID 12576399

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran?
The IUPAC name of (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran (CID 101219667) is (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran.
What is the SMILES notation for (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran?
The canonical SMILES for (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran is C/C=C1\COCC=C1/C=C/CCCCC.
What is the InChIKey of (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran?
The InChIKey is UVRTXHVCKMFYBQ-AKACATDXSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-6-7-8-9-14-10-11-15-12-13(14)4-2/h4,8-10H,3,5-7,11-12H2,1-2H3/b9-8+,13-4+.
What are the key properties of (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran?
(5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran has a molecular weight of 206.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-4-[(E)-hept-1-enyl]-2H-pyran is sourced from PubChem (CID 101219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).