1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane

C19H36O — CID 123833942

IUPAC1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane
SMILESC=C(OC1(CC)CCCC1)C(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C19H36O/c1-9-19(12-10-11-13-19)20-16(4)18(8,15(2)3)14-17(5,6)7/h15H,4,9-14H2,1-3,5-8H3
InChIKeyBMAAUPBFFOEJHD-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.34
Rot. Bonds6

About 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane

1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane (PubChem CID 123833942) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane.

Molecular Properties

Compound Name1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane
PubChem CID123833942
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane
SMILESC=C(OC1(CC)CCCC1)C(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C19H36O/c1-9-19(12-10-11-13-19)20-16(4)18(8,15(2)3)14-17(5,6)7/h15H,4,9-14H2,1-3,5-8H3
InChIKeyBMAAUPBFFOEJHD-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.34
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 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane?
The IUPAC name of 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane (CID 123833942) is 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane.
What is the SMILES notation for 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane?
The canonical SMILES for 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane is C=C(OC1(CC)CCCC1)C(C)(CC(C)(C)C)C(C)C.
What is the InChIKey of 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane?
The InChIKey is BMAAUPBFFOEJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-9-19(12-10-11-13-19)20-16(4)18(8,15(2)3)14-17(5,6)7/h15H,4,9-14H2,1-3,5-8H3.
What are the key properties of 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane?
1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane has a molecular weight of 280.50 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3,5,5-trimethyl-3-propan-2-ylhex-1-en-2-yl)oxycyclopentane is sourced from PubChem (CID 123833942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).