2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol

C19H28O3 — CID 145295368

IUPAC2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol
SMILESC=C(/C=C\C(=C)C1=CC=C(OCCCCC)CC1)OCCO
InChIInChI=1S/C19H28O3/c1-4-5-6-14-22-19-11-9-18(10-12-19)16(2)7-8-17(3)21-15-13-20/h7-9,11,20H,2-6,10,12-15H2,1H3/b8-7-
InChIKeySNCVIXHCHFXWSY-FPLPWBNLSA-N
MW304.43 g/mol
LogP4.43
Rot. Bonds11

About 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol

2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol (PubChem CID 145295368) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol
PubChem CID145295368
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol
SMILESC=C(/C=C\C(=C)C1=CC=C(OCCCCC)CC1)OCCO
InChIInChI=1S/C19H28O3/c1-4-5-6-14-22-19-11-9-18(10-12-19)16(2)7-8-17(3)21-15-13-20/h7-9,11,20H,2-6,10,12-15H2,1H3/b8-7-
InChIKeySNCVIXHCHFXWSY-FPLPWBNLSA-N
XLogP4.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol?
The IUPAC name of 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol (CID 145295368) is 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol.
What is the SMILES notation for 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol?
The canonical SMILES for 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol is C=C(/C=C\C(=C)C1=CC=C(OCCCCC)CC1)OCCO.
What is the InChIKey of 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol?
The InChIKey is SNCVIXHCHFXWSY-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H28O3/c1-4-5-6-14-22-19-11-9-18(10-12-19)16(2)7-8-17(3)21-15-13-20/h7-9,11,20H,2-6,10,12-15H2,1H3/b8-7-.
What are the key properties of 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol?
2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol has a molecular weight of 304.43 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol is sourced from PubChem (CID 145295368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).