4-(1-phenylhept-1-en-4-yl)oxane

C18H26O — CID 54151288

IUPAC4-(1-phenylhept-1-en-4-yl)oxane
SMILESCCCC(CC=Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C18H26O/c1-2-7-17(18-12-14-19-15-13-18)11-6-10-16-8-4-3-5-9-16/h3-6,8-10,17-18H,2,7,11-15H2,1H3
InChIKeyHMMRORFVUZKQOY-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.93
Rot. Bonds6

About 4-(1-phenylhept-1-en-4-yl)oxane

4-(1-phenylhept-1-en-4-yl)oxane (PubChem CID 54151288) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(1-phenylhept-1-en-4-yl)oxane.

Molecular Properties

Compound Name4-(1-phenylhept-1-en-4-yl)oxane
PubChem CID54151288
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name4-(1-phenylhept-1-en-4-yl)oxane
SMILESCCCC(CC=Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C18H26O/c1-2-7-17(18-12-14-19-15-13-18)11-6-10-16-8-4-3-5-9-16/h3-6,8-10,17-18H,2,7,11-15H2,1H3
InChIKeyHMMRORFVUZKQOY-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
CID 112569291
4-(1-phenylpropyl)oxane
CID 155461106
4-chloropent-1-enylbenzene
CID 66808272
3-heptan-4-yloxolane
CID 162375259
[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-6-methylheptyl]-[(E)-3-phenylprop-2-enyl]azanium
CID 7094767
(E)-5-phenylpent-4-en-2-amine
CID 55254237
benzene;but-1-enylbenzene
CID 157481332
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999
N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940224
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylhept-1-en-4-yl)oxane?
The IUPAC name of 4-(1-phenylhept-1-en-4-yl)oxane (CID 54151288) is 4-(1-phenylhept-1-en-4-yl)oxane.
What is the SMILES notation for 4-(1-phenylhept-1-en-4-yl)oxane?
The canonical SMILES for 4-(1-phenylhept-1-en-4-yl)oxane is CCCC(CC=Cc1ccccc1)C1CCOCC1.
What is the InChIKey of 4-(1-phenylhept-1-en-4-yl)oxane?
The InChIKey is HMMRORFVUZKQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-2-7-17(18-12-14-19-15-13-18)11-6-10-16-8-4-3-5-9-16/h3-6,8-10,17-18H,2,7,11-15H2,1H3.
What are the key properties of 4-(1-phenylhept-1-en-4-yl)oxane?
4-(1-phenylhept-1-en-4-yl)oxane has a molecular weight of 258.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylhept-1-en-4-yl)oxane is sourced from PubChem (CID 54151288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).