cyclohepta-1,4,6-trien-1-ol;propane

C10H16O — CID 143919108

IUPACcyclohepta-1,4,6-trien-1-ol;propane
SMILESCCC.OC1=CCC=CC=C1
InChIInChI=1S/C7H8O.C3H8/c8-7-5-3-1-2-4-6-7;1-3-2/h1-3,5-6,8H,4H2;3H2,1-2H3
InChIKeyBAPCIWFZLZJJDN-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.36
Rot. Bonds

About cyclohepta-1,4,6-trien-1-ol;propane

cyclohepta-1,4,6-trien-1-ol;propane (PubChem CID 143919108) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is cyclohepta-1,4,6-trien-1-ol;propane.

Molecular Properties

Compound Namecyclohepta-1,4,6-trien-1-ol;propane
PubChem CID143919108
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namecyclohepta-1,4,6-trien-1-ol;propane
SMILESCCC.OC1=CCC=CC=C1
InChIInChI=1S/C7H8O.C3H8/c8-7-5-3-1-2-4-6-7;1-3-2/h1-3,5-6,8H,4H2;3H2,1-2H3
InChIKeyBAPCIWFZLZJJDN-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine
CID 142256460
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen
CID 142256459
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
CID 143207326
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
2,4-dimethylpentan-2-ol;ethane;N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine
CID 143350335
ethyl 2-cyclohepta-1,4,6-trien-1-ylsulfonylacetate
CID 123545492
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
CID 160779523
nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
CID 157111538
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol
CID 123288429

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,4,6-trien-1-ol;propane?
The IUPAC name of cyclohepta-1,4,6-trien-1-ol;propane (CID 143919108) is cyclohepta-1,4,6-trien-1-ol;propane.
What is the SMILES notation for cyclohepta-1,4,6-trien-1-ol;propane?
The canonical SMILES for cyclohepta-1,4,6-trien-1-ol;propane is CCC.OC1=CCC=CC=C1.
What is the InChIKey of cyclohepta-1,4,6-trien-1-ol;propane?
The InChIKey is BAPCIWFZLZJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H8/c8-7-5-3-1-2-4-6-7;1-3-2/h1-3,5-6,8H,4H2;3H2,1-2H3.
What are the key properties of cyclohepta-1,4,6-trien-1-ol;propane?
cyclohepta-1,4,6-trien-1-ol;propane has a molecular weight of 152.24 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,4,6-trien-1-ol;propane is sourced from PubChem (CID 143919108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).