1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane

C18H36O — CID 150995067

IUPAC1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
SMILESCCCCCCCCCCOC=C(C(C)C)C(C)C
InChIInChI=1S/C18H36O/c1-6-7-8-9-10-11-12-13-14-19-15-18(16(2)3)17(4)5/h15-17H,6-14H2,1-5H3
InChIKeyLSXOSKAXFGVZLH-UHFFFAOYSA-N
MW268.49 g/mol
LogP6.34
Rot. Bonds12

About 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane

1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane (PubChem CID 150995067) has the molecular formula C18H36O and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
PubChem CID150995067
Molecular FormulaC18H36O
Molecular Weight268.49 g/mol
Exact Mass268.28
IUPAC Name1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
SMILESCCCCCCCCCCOC=C(C(C)C)C(C)C
InChIInChI=1S/C18H36O/c1-6-7-8-9-10-11-12-13-14-19-15-18(16(2)3)17(4)5/h15-17H,6-14H2,1-5H3
InChIKeyLSXOSKAXFGVZLH-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-pentoxyprop-1-en-2-ol
CID 173004017
1-(2-ethylhex-1-enoxy)decane
CID 166758323
1-ethenoxytriacontane
CID 14647805
hexacosyl formate
CID 87446465
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
decyl formate;hydrochloride
CID 174405844
1-prop-1-enoxydecane
CID 54116737
2-pentoxyethenol
CID 173159715
3-(butoxymethylidene)pentane
CID 22234811
1-heptacontoxyethanol
CID 169098461

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane (CID 150995067) is 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane is CCCCCCCCCCOC=C(C(C)C)C(C)C.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane?
The InChIKey is LSXOSKAXFGVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-6-7-8-9-10-11-12-13-14-19-15-18(16(2)3)17(4)5/h15-17H,6-14H2,1-5H3.
What are the key properties of 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane?
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane has a molecular weight of 268.49 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane is sourced from PubChem (CID 150995067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).