4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene

C16H28O — CID 14692991

IUPAC4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene
SMILESC=C(CCOC)C1C(C)(C)C=C(C)CC1(C)C
InChIInChI=1S/C16H28O/c1-12-10-15(3,4)14(16(5,6)11-12)13(2)8-9-17-7/h10,14H,2,8-9,11H2,1,3-7H3
InChIKeyHIIURSJVGBDJEV-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds4

About 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene

4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene (PubChem CID 14692991) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene.

Molecular Properties

Compound Name4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene
PubChem CID14692991
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene
SMILESC=C(CCOC)C1C(C)(C)C=C(C)CC1(C)C
InChIInChI=1S/C16H28O/c1-12-10-15(3,4)14(16(5,6)11-12)13(2)8-9-17-7/h10,14H,2,8-9,11H2,1,3-7H3
InChIKeyHIIURSJVGBDJEV-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene?
The IUPAC name of 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene (CID 14692991) is 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene.
What is the SMILES notation for 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene?
The canonical SMILES for 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene is C=C(CCOC)C1C(C)(C)C=C(C)CC1(C)C.
What is the InChIKey of 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene?
The InChIKey is HIIURSJVGBDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-12-10-15(3,4)14(16(5,6)11-12)13(2)8-9-17-7/h10,14H,2,8-9,11H2,1,3-7H3.
What are the key properties of 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene?
4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene has a molecular weight of 236.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybut-1-en-2-yl)-1,3,3,5,5-pentamethylcyclohexene is sourced from PubChem (CID 14692991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).