ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)

C15H32O3 — CID 67782468

IUPACethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
SMILESC=CC.C=CC.COC1CCCCC1.OCCO
InChIInChI=1S/C7H14O.2C3H6.C2H6O2/c1-8-7-5-3-2-4-6-7;2*1-3-2;3-1-2-4/h7H,2-6H2,1H3;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyHELVJWCXDKCFFA-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.32
Rot. Bonds2

About ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)

ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene) (PubChem CID 67782468) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
PubChem CID67782468
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Nameethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
SMILESC=CC.C=CC.COC1CCCCC1.OCCO
InChIInChI=1S/C7H14O.2C3H6.C2H6O2/c1-8-7-5-3-2-4-6-7;2*1-3-2;3-1-2-4/h7H,2-6H2,1H3;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyHELVJWCXDKCFFA-UHFFFAOYSA-N
XLogP3.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene) (CID 67782468) is ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene) is C=CC.C=CC.COC1CCCCC1.OCCO.
What is the InChIKey of ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)?
The InChIKey is HELVJWCXDKCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.2C3H6.C2H6O2/c1-8-7-5-3-2-4-6-7;2*1-3-2;3-1-2-4/h7H,2-6H2,1H3;2*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)?
ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene) has a molecular weight of 260.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene) is sourced from PubChem (CID 67782468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).