4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene

C14H22O — CID 70999336

IUPAC4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(C(C)OCCC)CC1
InChIInChI=1S/C14H22O/c1-4-6-13-7-9-14(10-8-13)12(3)15-11-5-2/h7,12,14H,5,8-11H2,1-3H3
InChIKeyGEFSVTBNLTWBCI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds4

About 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene

4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene (PubChem CID 70999336) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene.

Molecular Properties

Compound Name4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene
PubChem CID70999336
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(C(C)OCCC)CC1
InChIInChI=1S/C14H22O/c1-4-6-13-7-9-14(10-8-13)12(3)15-11-5-2/h7,12,14H,5,8-11H2,1-3H3
InChIKeyGEFSVTBNLTWBCI-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene?
The IUPAC name of 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene (CID 70999336) is 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene.
What is the SMILES notation for 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene?
The canonical SMILES for 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene is CC#CC1=CCC(C(C)OCCC)CC1.
What is the InChIKey of 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene?
The InChIKey is GEFSVTBNLTWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-6-13-7-9-14(10-8-13)12(3)15-11-5-2/h7,12,14H,5,8-11H2,1-3H3.
What are the key properties of 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene?
4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene has a molecular weight of 206.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propoxyethyl)-1-prop-1-ynylcyclohexene is sourced from PubChem (CID 70999336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).