[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene

C19H24O2 — CID 101079968

IUPAC[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
SMILESC=CCO[C@@H](C=C)[C@](CC=C)(OCC=C)c1ccccc1
InChIInChI=1S/C19H24O2/c1-5-14-19(21-16-7-3,17-12-10-9-11-13-17)18(8-4)20-15-6-2/h5-13,18H,1-4,14-16H2/t18-,19+/m0/s1
InChIKeyKIJXRTHVMAOVIX-RBUKOAKNSA-N
MW284.40 g/mol
LogP4.42
Rot. Bonds11

About [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene

[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene (PubChem CID 101079968) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene.

Molecular Properties

Compound Name[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
PubChem CID101079968
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
SMILESC=CCO[C@@H](C=C)[C@](CC=C)(OCC=C)c1ccccc1
InChIInChI=1S/C19H24O2/c1-5-14-19(21-16-7-3,17-12-10-9-11-13-17)18(8-4)20-15-6-2/h5-13,18H,1-4,14-16H2/t18-,19+/m0/s1
InChIKeyKIJXRTHVMAOVIX-RBUKOAKNSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.42
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

[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
trimethyl-[(2R,3S)-3-phenyl-2-trimethylsilyloxyhex-5-en-3-yl]oxysilane
CID 12066571
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
CID 155206785
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
CID 11000538
1-phenylbut-3-ene-1,1-diol
CID 134892936
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene?
The IUPAC name of [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene (CID 101079968) is [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene.
What is the SMILES notation for [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene?
The canonical SMILES for [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene is C=CCO[C@@H](C=C)[C@](CC=C)(OCC=C)c1ccccc1.
What is the InChIKey of [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene?
The InChIKey is KIJXRTHVMAOVIX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-14-19(21-16-7-3,17-12-10-9-11-13-17)18(8-4)20-15-6-2/h5-13,18H,1-4,14-16H2/t18-,19+/m0/s1.
What are the key properties of [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene?
[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene has a molecular weight of 284.40 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene is sourced from PubChem (CID 101079968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).