1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane

C14H26O — CID 66804245

IUPAC1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
SMILESC=C(OC1(CC)CCCC1)C(C)(C)CC
InChIInChI=1S/C14H26O/c1-6-13(4,5)12(3)15-14(7-2)10-8-9-11-14/h3,6-11H2,1-2,4-5H3
InChIKeyBQJXHNFXVPTRQY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds5

About 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane

1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane (PubChem CID 66804245) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
PubChem CID66804245
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
SMILESC=C(OC1(CC)CCCC1)C(C)(C)CC
InChIInChI=1S/C14H26O/c1-6-13(4,5)12(3)15-14(7-2)10-8-9-11-14/h3,6-11H2,1-2,4-5H3
InChIKeyBQJXHNFXVPTRQY-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
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

(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
(1-ethylcyclohexyl) 3-ethyl-2,2,3-trimethylpentanoate
CID 123431668
1-(3,3-dimethylpent-1-en-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;(1-ethylcyclopentyl) 2,2-dimethylbutanoate
CID 123230072
pentadecakis(1-ethylcyclopentyl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethylhentriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxylate
CID 88551593
(1-ethylcyclopentyl) 2,4,4-trimethyl-2-prop-1-en-2-ylpentanoate
CID 91497135
(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate
CID 58820878
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
CID 123394961
1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
CID 88993752
tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 159238972
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(1-ethylcyclopentyl) methyl carbonate
CID 59539839

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane?
The IUPAC name of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane (CID 66804245) is 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane.
What is the SMILES notation for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane?
The canonical SMILES for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane is C=C(OC1(CC)CCCC1)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane?
The InChIKey is BQJXHNFXVPTRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-13(4,5)12(3)15-14(7-2)10-8-9-11-14/h3,6-11H2,1-2,4-5H3.
What are the key properties of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane?
1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane has a molecular weight of 210.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane is sourced from PubChem (CID 66804245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).