1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene

C15H22O2 — CID 173117366

IUPAC1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
SMILESC=C[C@H](OCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-6-14(15(2,3)4)17-11-12-7-9-13(16-5)10-8-12/h6-10,14H,1,11H2,2-5H3/t14-/m0/s1
InChIKeySHJKSUVKOLHUBF-AWEZNQCLSA-N
MW234.34 g/mol
LogP3.81
Rot. Bonds5

About 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene

1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene (PubChem CID 173117366) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
PubChem CID173117366
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
SMILESC=C[C@H](OCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-6-14(15(2,3)4)17-11-12-7-9-13(16-5)10-8-12/h6-10,14H,1,11H2,2-5H3/t14-/m0/s1
InChIKeySHJKSUVKOLHUBF-AWEZNQCLSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,5S)-5-[(4-methoxyphenyl)methoxy]-4,4-dimethylhepta-2,6-dien-1-ol
CID 10869554
[(3S)-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-enyl] 3-chloropropane-1-sulfonate
CID 86628872
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
CID 140533860
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
CID 19986996
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 67148866
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene (CID 173117366) is 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene is C=C[C@H](OCc1ccc(OC)cc1)C(C)(C)C.
What is the InChIKey of 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene?
The InChIKey is SHJKSUVKOLHUBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-14(15(2,3)4)17-11-12-7-9-13(16-5)10-8-12/h6-10,14H,1,11H2,2-5H3/t14-/m0/s1.
What are the key properties of 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene?
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene has a molecular weight of 234.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 173117366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).