(3-propan-2-yloxycyclobutyl)methoxymethylbenzene

C45H66O6 — CID 160749410

IUPAC(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
SMILESCC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1
InChIInChI=1S/3C15H22O2/c3*1-12(2)17-15-8-14(9-15)11-16-10-13-6-4-3-5-7-13/h3*3-7,12,14-15H,8-11H2,1-2H3
InChIKeyRWPSEANHISIONF-UHFFFAOYSA-N
MW703.02 g/mol
LogP10.22
Rot. Bonds18

About (3-propan-2-yloxycyclobutyl)methoxymethylbenzene

(3-propan-2-yloxycyclobutyl)methoxymethylbenzene (PubChem CID 160749410) has the molecular formula C45H66O6 and a molecular weight of 703.02 g/mol. Its IUPAC name is (3-propan-2-yloxycyclobutyl)methoxymethylbenzene.

Molecular Properties

Compound Name(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
PubChem CID160749410
Molecular FormulaC45H66O6
Molecular Weight703.02 g/mol
Exact Mass702.49
IUPAC Name(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
SMILESCC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1
InChIInChI=1S/3C15H22O2/c3*1-12(2)17-15-8-14(9-15)11-16-10-13-6-4-3-5-7-13/h3*3-7,12,14-15H,8-11H2,1-2H3
InChIKeyRWPSEANHISIONF-UHFFFAOYSA-N
XLogP10.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.02
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propan-2-yloxyoxolane
CID 14702693
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
3-(phenylmethoxymethyl)cyclohexane-1-carbothioamide
CID 166694250

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxycyclobutyl)methoxymethylbenzene?
The IUPAC name of (3-propan-2-yloxycyclobutyl)methoxymethylbenzene (CID 160749410) is (3-propan-2-yloxycyclobutyl)methoxymethylbenzene.
What is the SMILES notation for (3-propan-2-yloxycyclobutyl)methoxymethylbenzene?
The canonical SMILES for (3-propan-2-yloxycyclobutyl)methoxymethylbenzene is CC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1.CC(C)OC1CC(COCc2ccccc2)C1.
What is the InChIKey of (3-propan-2-yloxycyclobutyl)methoxymethylbenzene?
The InChIKey is RWPSEANHISIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H22O2/c3*1-12(2)17-15-8-14(9-15)11-16-10-13-6-4-3-5-7-13/h3*3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of (3-propan-2-yloxycyclobutyl)methoxymethylbenzene?
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene has a molecular weight of 703.02 g/mol, XLogP of 10.22, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxycyclobutyl)methoxymethylbenzene is sourced from PubChem (CID 160749410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).