(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene

C15H22O — CID 166967540

IUPAC(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene
SMILESC=C(OCc1ccccc1)C(CC)C(C)C
InChIInChI=1S/C15H22O/c1-5-15(12(2)3)13(4)16-11-14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3
InChIKeyRSFVRYNXYSKGBV-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.40
Rot. Bonds6

About (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene

(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene (PubChem CID 166967540) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene.

Molecular Properties

Compound Name(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene
PubChem CID166967540
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene
SMILESC=C(OCc1ccccc1)C(CC)C(C)C
InChIInChI=1S/C15H22O/c1-5-15(12(2)3)13(4)16-11-14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3
InChIKeyRSFVRYNXYSKGBV-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.40
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

benzyl 3,4-dimethylhexanoate
CID 123356915
3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
CID 142096371
[(2R)-3-methyl-2-phenylmethoxycarbonylbutyl] benzoate
CID 178179096
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
benzyl N-[(3S)-2-[[(3S)-2-methoxy-4-methylpent-1-en-3-yl]amino]-4-methylpent-1-en-3-yl]carbamate
CID 89016974
dibenzyl (2S)-4-oxo-2-propan-2-ylhexanedioate
CID 89438942
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
CID 15837583
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene?
The IUPAC name of (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene (CID 166967540) is (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene.
What is the SMILES notation for (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene?
The canonical SMILES for (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene is C=C(OCc1ccccc1)C(CC)C(C)C.
What is the InChIKey of (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene?
The InChIKey is RSFVRYNXYSKGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-15(12(2)3)13(4)16-11-14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3.
What are the key properties of (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene?
(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene is sourced from PubChem (CID 166967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).