2-hex-1-en-2-yloxyhex-1-ene

C12H22O — CID 19796088

IUPAC2-hex-1-en-2-yloxyhex-1-ene
SMILESC=C(CCCC)OC(=C)CCCC
InChIInChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h3-10H2,1-2H3
InChIKeyCOUBENXWFHWKSB-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.41
Rot. Bonds8

About 2-hex-1-en-2-yloxyhex-1-ene

2-hex-1-en-2-yloxyhex-1-ene (PubChem CID 19796088) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-hex-1-en-2-yloxyhex-1-ene.

Molecular Properties

Compound Name2-hex-1-en-2-yloxyhex-1-ene
PubChem CID19796088
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-hex-1-en-2-yloxyhex-1-ene
SMILESC=C(CCCC)OC(=C)CCCC
InChIInChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h3-10H2,1-2H3
InChIKeyCOUBENXWFHWKSB-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxyhex-1-ene
CID 551586
2-Methoxy-1-heptene
CID 551618
1-Hexene, 2-ethoxy-
CID 10376321
2-Butoxyhex-1-ene
CID 15578219
6-Fluoro-2-(6-fluorohex-1-en-2-yloxy)hex-1-ene
CID 87198963
3-Fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene
CID 87198965
3-Methoxyhepta-1,2-diene
CID 12809050
2-Pent-1-en-2-yloxypent-1-ene
CID 19378362
2-Propoxypent-1-ene
CID 20764749
2-Hept-1-en-2-yloxyhept-1-ene
CID 23221782
Ethoxyethane;2-pent-1-en-2-yloxyhex-1-ene
CID 88051630
4-Methyl-2-(4-methylhex-1-en-2-yloxy)hex-1-ene
CID 88290643

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-en-2-yloxyhex-1-ene?
The IUPAC name of 2-hex-1-en-2-yloxyhex-1-ene (CID 19796088) is 2-hex-1-en-2-yloxyhex-1-ene.
What is the SMILES notation for 2-hex-1-en-2-yloxyhex-1-ene?
The canonical SMILES for 2-hex-1-en-2-yloxyhex-1-ene is C=C(CCCC)OC(=C)CCCC.
What is the InChIKey of 2-hex-1-en-2-yloxyhex-1-ene?
The InChIKey is COUBENXWFHWKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h3-10H2,1-2H3.
What are the key properties of 2-hex-1-en-2-yloxyhex-1-ene?
2-hex-1-en-2-yloxyhex-1-ene has a molecular weight of 182.31 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-en-2-yloxyhex-1-ene is sourced from PubChem (CID 19796088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).