cyclohepta-1,3,5-trien-1-ol;ethane

C9H14O — CID 142842150

IUPACcyclohepta-1,3,5-trien-1-ol;ethane
SMILESCC.OC1=CC=CC=CC1
InChIInChI=1S/C7H8O.C2H6/c8-7-5-3-1-2-4-6-7;1-2/h1-5,8H,6H2;1-2H3
InChIKeyDKENLYOGRAOHID-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.97
Rot. Bonds

About cyclohepta-1,3,5-trien-1-ol;ethane

cyclohepta-1,3,5-trien-1-ol;ethane (PubChem CID 142842150) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is cyclohepta-1,3,5-trien-1-ol;ethane.

Molecular Properties

Compound Namecyclohepta-1,3,5-trien-1-ol;ethane
PubChem CID142842150
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namecyclohepta-1,3,5-trien-1-ol;ethane
SMILESCC.OC1=CC=CC=CC1
InChIInChI=1S/C7H8O.C2H6/c8-7-5-3-1-2-4-6-7;1-2/h1-5,8H,6H2;1-2H3
InChIKeyDKENLYOGRAOHID-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopenta-1,3-dien-1-ol;niobium
CID 174382508
ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
ethane;1-propoxycyclohepta-1,3,5-triene
CID 142183410
tricyclohepta-1,3,5-trien-1-yl borate
CID 141002325
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
CID 13380462
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
1-(chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
1-cyclohepta-1,3,5-trien-1-ylethanethiol
CID 142981242
1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
CID 142160073
CID 123764762
CID 123764762

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-trien-1-ol;ethane?
The IUPAC name of cyclohepta-1,3,5-trien-1-ol;ethane (CID 142842150) is cyclohepta-1,3,5-trien-1-ol;ethane.
What is the SMILES notation for cyclohepta-1,3,5-trien-1-ol;ethane?
The canonical SMILES for cyclohepta-1,3,5-trien-1-ol;ethane is CC.OC1=CC=CC=CC1.
What is the InChIKey of cyclohepta-1,3,5-trien-1-ol;ethane?
The InChIKey is DKENLYOGRAOHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H6/c8-7-5-3-1-2-4-6-7;1-2/h1-5,8H,6H2;1-2H3.
What are the key properties of cyclohepta-1,3,5-trien-1-ol;ethane?
cyclohepta-1,3,5-trien-1-ol;ethane has a molecular weight of 138.21 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-trien-1-ol;ethane is sourced from PubChem (CID 142842150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).