1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene

C14H22O — CID 155032957

IUPAC1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
SMILESCOCC[C@H](c1cccc(C)c1)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(8-9-15-4)13-7-5-6-12(3)10-13/h5-7,10-11,14H,8-9H2,1-4H3/t14-/m0/s1
InChIKeyWQGCPQNPOWWNDG-AWEZNQCLSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds5

About 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene

1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene (PubChem CID 155032957) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
PubChem CID155032957
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
SMILESCOCC[C@H](c1cccc(C)c1)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(8-9-15-4)13-7-5-6-12(3)10-13/h5-7,10-11,14H,8-9H2,1-4H3/t14-/m0/s1
InChIKeyWQGCPQNPOWWNDG-AWEZNQCLSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-5-methoxy-3-methylpentan-2-yl)-3-methylbenzene
CID 116500336
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-methylbenzene
CID 116500337
1-(1-bromo-3-methylbutan-2-yl)-3-methylbenzene
CID 79019345
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
4-methyl-3-(3-methylphenyl)pentanenitrile
CID 83684447
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
N-ethyl-3-methyl-2-(3-methylphenyl)butan-1-amine
CID 66244260
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
1-[2-iodo-1-(2-methoxyethoxy)ethyl]-3-methylbenzene
CID 114773155
1-[bromo(diethoxyphosphoryl)methyl]-3-methylbenzene
CID 100953017
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene?
The IUPAC name of 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene (CID 155032957) is 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene.
What is the SMILES notation for 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene?
The canonical SMILES for 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene is COCC[C@H](c1cccc(C)c1)C(C)C.
What is the InChIKey of 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene?
The InChIKey is WQGCPQNPOWWNDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)14(8-9-15-4)13-7-5-6-12(3)10-13/h5-7,10-11,14H,8-9H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene?
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene is sourced from PubChem (CID 155032957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).