1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane

C12H21OP — CID 123983884

IUPAC1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane
SMILESCCOC(C)=CC=C(C)P1CCCC1
InChIInChI=1S/C12H21OP/c1-4-13-11(2)7-8-12(3)14-9-5-6-10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyIUFYSSADOUVOLM-UHFFFAOYSA-N
MW212.27 g/mol
LogP4.11
Rot. Bonds4

About 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane

1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane (PubChem CID 123983884) has the molecular formula C12H21OP and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane.

Molecular Properties

Compound Name1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane
PubChem CID123983884
Molecular FormulaC12H21OP
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane
SMILESCCOC(C)=CC=C(C)P1CCCC1
InChIInChI=1S/C12H21OP/c1-4-13-11(2)7-8-12(3)14-9-5-6-10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyIUFYSSADOUVOLM-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybut-2-ene;silane
CID 174428196
(3E,5E)-3-ethenyl-6-ethoxyhepta-3,5-dien-2-one
CID 89136011
2-ethoxy-6,10-dimethylundeca-2,4,6,9-tetraene
CID 54102571
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
CID 137395501
ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate
CID 123370937
cyclohexane;N,N-dimethylmethanamine;ethyl acetate
CID 166691993
(cyclohexane);ethyl acetate
CID 173021642
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
(E)-5-ethoxyhex-4-en-1-yne
CID 134893570
ethyl (E)-4-ethoxy-2-oxopent-3-enoate
CID 6385113
2-ethoxy-4-methoxypent-2-ene
CID 123609081

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane?
The IUPAC name of 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane (CID 123983884) is 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane.
What is the SMILES notation for 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane?
The canonical SMILES for 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane is CCOC(C)=CC=C(C)P1CCCC1.
What is the InChIKey of 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane?
The InChIKey is IUFYSSADOUVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21OP/c1-4-13-11(2)7-8-12(3)14-9-5-6-10-14/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane?
1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane has a molecular weight of 212.27 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxyhexa-2,4-dien-2-yl)phospholane is sourced from PubChem (CID 123983884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).