3-methylbut-2-en-2-yloxycyclohexane

C11H20O — CID 140500835

IUPAC3-methylbut-2-en-2-yloxycyclohexane
SMILESCC(C)=C(C)OC1CCCCC1
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChIKeyHBIVTNBBBJCMPD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.65
Rot. Bonds2

About 3-methylbut-2-en-2-yloxycyclohexane

3-methylbut-2-en-2-yloxycyclohexane (PubChem CID 140500835) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methylbut-2-en-2-yloxycyclohexane.

Molecular Properties

Compound Name3-methylbut-2-en-2-yloxycyclohexane
PubChem CID140500835
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methylbut-2-en-2-yloxycyclohexane
SMILESCC(C)=C(C)OC1CCCCC1
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChIKeyHBIVTNBBBJCMPD-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.65
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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Related Compounds

2-Methylprop-1-enoxycyclohexane
CID 20487853
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763
4-(3-Methylbut-2-en-2-yloxy)heptane
CID 123198538
1-(3-Methylbut-2-en-2-yloxy)heptane
CID 152495326
But-2-en-2-yloxycyclohexane
CID 175227719
[(E)-but-2-en-2-yl]oxycyclohexane
CID 145479229

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-en-2-yloxycyclohexane?
The IUPAC name of 3-methylbut-2-en-2-yloxycyclohexane (CID 140500835) is 3-methylbut-2-en-2-yloxycyclohexane.
What is the SMILES notation for 3-methylbut-2-en-2-yloxycyclohexane?
The canonical SMILES for 3-methylbut-2-en-2-yloxycyclohexane is CC(C)=C(C)OC1CCCCC1.
What is the InChIKey of 3-methylbut-2-en-2-yloxycyclohexane?
The InChIKey is HBIVTNBBBJCMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 3-methylbut-2-en-2-yloxycyclohexane?
3-methylbut-2-en-2-yloxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-en-2-yloxycyclohexane is sourced from PubChem (CID 140500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).