hex-1-ene;oxolane

C10H20O — CID 67614657

IUPAChex-1-ene;oxolane
SMILESC1CCOC1.C=CCCCC
InChIInChI=1S/C6H12.C4H8O/c1-3-5-6-4-2;1-2-4-5-3-1/h3H,1,4-6H2,2H3;1-4H2
InChIKeyGNCIDVSBNQRLLK-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds3

About hex-1-ene;oxolane

hex-1-ene;oxolane (PubChem CID 67614657) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is hex-1-ene;oxolane.

Molecular Properties

Compound Namehex-1-ene;oxolane
PubChem CID67614657
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namehex-1-ene;oxolane
SMILESC1CCOC1.C=CCCCC
InChIInChI=1S/C6H12.C4H8O/c1-3-5-6-4-2;1-2-4-5-3-1/h3H,1,4-6H2,2H3;1-4H2
InChIKeyGNCIDVSBNQRLLK-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Butoxy-1-pentene
CID 534792
1-Pent-4-enoxyhexane
CID 15643642
6-Ethoxyhex-1-ene
CID 17825069
5-(Pent-4-en-1-yloxy)pent-1-ene
CID 19612338
5-Hexenyl butyl ether
CID 21186914
Vinylbutyl vinylbutyl ether
CID 57203039
1-Methyl-4-pentenyl ether
CID 57295639
4-Pentenyl pentyl ether
CID 536440
5-Pentan-3-yloxyhex-1-ene
CID 135044726
1-Pent-4-enoxyoct-3-yne
CID 135044935
5-Ethoxyhex-1-ene
CID 10558643
7-Ethoxyhept-1-ene
CID 17824950

Frequently Asked Questions

What is the IUPAC name of hex-1-ene;oxolane?
The IUPAC name of hex-1-ene;oxolane (CID 67614657) is hex-1-ene;oxolane.
What is the SMILES notation for hex-1-ene;oxolane?
The canonical SMILES for hex-1-ene;oxolane is C1CCOC1.C=CCCCC.
What is the InChIKey of hex-1-ene;oxolane?
The InChIKey is GNCIDVSBNQRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O/c1-3-5-6-4-2;1-2-4-5-3-1/h3H,1,4-6H2,2H3;1-4H2.
What are the key properties of hex-1-ene;oxolane?
hex-1-ene;oxolane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;oxolane is sourced from PubChem (CID 67614657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).