2-pent-1-enoxypropylcyclohexane

C14H26O — CID 57190718

IUPAC2-pent-1-enoxypropylcyclohexane
SMILESCCCC=COC(C)CC1CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h8,11,13-14H,3-7,9-10,12H2,1-2H3
InChIKeyWMSAKJOXPZYVKC-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds6

About 2-pent-1-enoxypropylcyclohexane

2-pent-1-enoxypropylcyclohexane (PubChem CID 57190718) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-pent-1-enoxypropylcyclohexane.

Molecular Properties

Compound Name2-pent-1-enoxypropylcyclohexane
PubChem CID57190718
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-pent-1-enoxypropylcyclohexane
SMILESCCCC=COC(C)CC1CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h8,11,13-14H,3-7,9-10,12H2,1-2H3
InChIKeyWMSAKJOXPZYVKC-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2-pent-1-enoxypropylcyclohexane?
The IUPAC name of 2-pent-1-enoxypropylcyclohexane (CID 57190718) is 2-pent-1-enoxypropylcyclohexane.
What is the SMILES notation for 2-pent-1-enoxypropylcyclohexane?
The canonical SMILES for 2-pent-1-enoxypropylcyclohexane is CCCC=COC(C)CC1CCCCC1.
What is the InChIKey of 2-pent-1-enoxypropylcyclohexane?
The InChIKey is WMSAKJOXPZYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h8,11,13-14H,3-7,9-10,12H2,1-2H3.
What are the key properties of 2-pent-1-enoxypropylcyclohexane?
2-pent-1-enoxypropylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enoxypropylcyclohexane is sourced from PubChem (CID 57190718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).