1-(1-hexoxyethoxy)hexane

C14H30O2 — CID 21503

IUPAC1-(1-hexoxyethoxy)hexane
SMILESCCCCCCOC(C)OCCCCCC
InChIInChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyVSFOOCQEJQKBSO-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.53
Rot. Bonds12

About 1-(1-hexoxyethoxy)hexane

1-(1-hexoxyethoxy)hexane (PubChem CID 21503) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-(1-hexoxyethoxy)hexane.

Molecular Properties

Compound Name1-(1-hexoxyethoxy)hexane
PubChem CID21503
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-(1-hexoxyethoxy)hexane
SMILESCCCCCCOC(C)OCCCCCC
InChIInChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyVSFOOCQEJQKBSO-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pentane, 1-(1-ethoxyethoxy)-
CID 114523
1-Butoxy-1-ethoxyethane
CID 552119
Acetaldehyde, dibutyl acetal
CID 79117
1,1-Dimethoxyheptane
CID 61453
1,1-Diethoxypentane
CID 77223
Hexane, 1-(1-ethoxyethoxy)-
CID 108244
Nonane, 1,1-diethoxy-
CID 108625
Heptane, 1,1-diethoxy-
CID 69644
1,1-Dimethoxyhexane
CID 74137
1,1-Diethoxybutane
CID 77225
1,1-Diethoxyoctane
CID 101364
Hexanal dihexyl acetal
CID 118530

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxyethoxy)hexane?
The IUPAC name of 1-(1-hexoxyethoxy)hexane (CID 21503) is 1-(1-hexoxyethoxy)hexane.
What is the SMILES notation for 1-(1-hexoxyethoxy)hexane?
The canonical SMILES for 1-(1-hexoxyethoxy)hexane is CCCCCCOC(C)OCCCCCC.
What is the InChIKey of 1-(1-hexoxyethoxy)hexane?
The InChIKey is VSFOOCQEJQKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 1-(1-hexoxyethoxy)hexane?
1-(1-hexoxyethoxy)hexane has a molecular weight of 230.39 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxyethoxy)hexane is sourced from PubChem (CID 21503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).