(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene

C14H26O — CID 134966711

IUPAC(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
SMILESCC(C)(C)OCCCC[C@@H]1C=CCCC1
InChIInChI=1S/C14H26O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h5,9,13H,4,6-8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyIZKUGIWFHWCNFQ-CYBMUJFWSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds5

About (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene

(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene (PubChem CID 134966711) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene.

Molecular Properties

Compound Name(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
PubChem CID134966711
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
SMILESCC(C)(C)OCCCC[C@@H]1C=CCCC1
InChIInChI=1S/C14H26O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h5,9,13H,4,6-8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyIZKUGIWFHWCNFQ-CYBMUJFWSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene?
The IUPAC name of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene (CID 134966711) is (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene.
What is the SMILES notation for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene?
The canonical SMILES for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene is CC(C)(C)OCCCC[C@@H]1C=CCCC1.
What is the InChIKey of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene?
The InChIKey is IZKUGIWFHWCNFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h5,9,13H,4,6-8,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene?
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene has a molecular weight of 210.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene is sourced from PubChem (CID 134966711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).