3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene

C29H54O5 — CID 158900460

IUPAC3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene
SMILESC1=COCCC1.C=COC1CCCCC1.C=COCC.C=COCC(C)C.CC/C=C/OCC
InChIInChI=1S/C8H14O.2C6H12O.C5H8O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;2,4H,1,3,5H2;3H,1,4H2,2H3/b;;6-5+;;
InChIKeyJFJKRHTYUYUISH-QZMYATHESA-N
MW482.75 g/mol
LogP8.71
Rot. Bonds10

About 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene

3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene (PubChem CID 158900460) has the molecular formula C29H54O5 and a molecular weight of 482.75 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene
PubChem CID158900460
Molecular FormulaC29H54O5
Molecular Weight482.75 g/mol
Exact Mass482.40
IUPAC Name3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene
SMILESC1=COCCC1.C=COC1CCCCC1.C=COCC.C=COCC(C)C.CC/C=C/OCC
InChIInChI=1S/C8H14O.2C6H12O.C5H8O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;2,4H,1,3,5H2;3H,1,4H2,2H3/b;;6-5+;;
InChIKeyJFJKRHTYUYUISH-QZMYATHESA-N
XLogP8.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane
CID 68596329
1,2-Bis(4-methylpent-1-enoxy)hexane
CID 78076527
1,4-Bis(4-methylpent-1-enoxy)cyclohexane
CID 142724786
4-Methylpent-1-enoxycyclohexane
CID 20736459
1,2-bis[(E)-4-methylpent-1-enoxy]hexane
CID 71465049

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene?
The IUPAC name of 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene (CID 158900460) is 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene.
What is the SMILES notation for 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene?
The canonical SMILES for 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene is C1=COCCC1.C=COC1CCCCC1.C=COCC.C=COCC(C)C.CC/C=C/OCC.
What is the InChIKey of 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene?
The InChIKey is JFJKRHTYUYUISH-QZMYATHESA-N. The full InChI is InChI=1S/C8H14O.2C6H12O.C5H8O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;2,4H,1,3,5H2;3H,1,4H2,2H3/b;;6-5+;;.
What are the key properties of 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene?
3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene has a molecular weight of 482.75 g/mol, XLogP of 8.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene is sourced from PubChem (CID 158900460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).