(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol

C14H18O2 — CID 88751430

IUPAC(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol
SMILESOCC1=C(C2=CC=CCCC2)OCCC=C1
InChIInChI=1S/C14H18O2/c15-11-13-9-5-6-10-16-14(13)12-7-3-1-2-4-8-12/h1,3,5,7,9,15H,2,4,6,8,10-11H2
InChIKeyUIHGPHWKBQZWSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds2

About (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol

(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol (PubChem CID 88751430) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol.

Molecular Properties

Compound Name(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol
PubChem CID88751430
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol
SMILESOCC1=C(C2=CC=CCCC2)OCCC=C1
InChIInChI=1S/C14H18O2/c15-11-13-9-5-6-10-16-14(13)12-7-3-1-2-4-8-12/h1,3,5,7,9,15H,2,4,6,8,10-11H2
InChIKeyUIHGPHWKBQZWSI-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol?
The IUPAC name of (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol (CID 88751430) is (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol.
What is the SMILES notation for (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol?
The canonical SMILES for (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol is OCC1=C(C2=CC=CCCC2)OCCC=C1.
What is the InChIKey of (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol?
The InChIKey is UIHGPHWKBQZWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-13-9-5-6-10-16-14(13)12-7-3-1-2-4-8-12/h1,3,5,7,9,15H,2,4,6,8,10-11H2.
What are the key properties of (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol?
(7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclohepta-1,3-dien-1-yl-2,3-dihydrooxepin-6-yl)methanol is sourced from PubChem (CID 88751430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).