[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene

C13H18O — CID 102252703

IUPAC[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
SMILESCO[C@H](C)[C@@H](C)/C=C\c1ccccc1
InChIInChI=1S/C13H18O/c1-11(12(2)14-3)9-10-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9-/t11-,12+/m0/s1
InChIKeyJIZQMYWRZQQFOG-QMZLHQMTSA-N
MW190.29 g/mol
LogP3.37
Rot. Bonds4

About [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene

[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene (PubChem CID 102252703) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
PubChem CID102252703
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
SMILESCO[C@H](C)[C@@H](C)/C=C\c1ccccc1
InChIInChI=1S/C13H18O/c1-11(12(2)14-3)9-10-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9-/t11-,12+/m0/s1
InChIKeyJIZQMYWRZQQFOG-QMZLHQMTSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
CID 102022397
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(3-bromo-3-methoxyprop-1-enyl)benzene
CID 118936577
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
3-methoxypent-1-enylbenzene
CID 71364960
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
(2Z,6E)-3,5-dimethoxy-4-methyl-7-phenylhepta-2,6-dienoic acid
CID 22000934
[(1E,3S,4R,5R)-3,5-dimethoxy-4,6-dimethylhepta-1,6-dienyl]benzene
CID 101250829
(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoic acid
CID 11256882
[(E)-2-phenylethenyl]silane;trimethoxy-[(E)-4-phenylbut-3-en-2-yl]silane
CID 173039666

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene?
The IUPAC name of [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene (CID 102252703) is [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene.
What is the SMILES notation for [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene?
The canonical SMILES for [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene is CO[C@H](C)[C@@H](C)/C=C\c1ccccc1.
What is the InChIKey of [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene?
The InChIKey is JIZQMYWRZQQFOG-QMZLHQMTSA-N. The full InChI is InChI=1S/C13H18O/c1-11(12(2)14-3)9-10-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9-/t11-,12+/m0/s1.
What are the key properties of [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene?
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene is sourced from PubChem (CID 102252703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).