3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen

C11H22O — CID 162020896

IUPAC3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen
SMILESC=C(OC1CCCCC1)C(C)C.[H][H]
InChIInChI=1S/C11H20O.H2/c1-9(2)10(3)12-11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3;1H
InChIKeyYUSQUXUPHVHHTO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds3

About 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen

3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen (PubChem CID 162020896) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen.

Molecular Properties

Compound Name3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen
PubChem CID162020896
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen
SMILESC=C(OC1CCCCC1)C(C)C.[H][H]
InChIInChI=1S/C11H20O.H2/c1-9(2)10(3)12-11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3;1H
InChIKeyYUSQUXUPHVHHTO-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
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

cyclohexyl 2-aminopropanoate;ethene
CID 144654176
3-methylbuta-1,3-dien-2-yloxycyclopentane
CID 163541173
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
buta-1,3-dien-2-yloxycyclohexane
CID 142221806
N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine
CID 142269541
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen?
The IUPAC name of 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen (CID 162020896) is 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen.
What is the SMILES notation for 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen?
The canonical SMILES for 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen is C=C(OC1CCCCC1)C(C)C.[H][H].
What is the InChIKey of 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen?
The InChIKey is YUSQUXUPHVHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.H2/c1-9(2)10(3)12-11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3;1H.
What are the key properties of 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen?
3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen has a molecular weight of 170.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen is sourced from PubChem (CID 162020896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).