ethene;5-methylcyclohepta-1,3,6-trien-1-ol

C10H14O — CID 144507325

IUPACethene;5-methylcyclohepta-1,3,6-trien-1-ol
SMILESC=C.CC1C=CC=C(O)C=C1
InChIInChI=1S/C8H10O.C2H4/c1-7-3-2-4-8(9)6-5-7;1-2/h2-7,9H,1H3;1-2H2
InChIKeyRZBWYBNAYSLLJK-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.99
Rot. Bonds

About ethene;5-methylcyclohepta-1,3,6-trien-1-ol

ethene;5-methylcyclohepta-1,3,6-trien-1-ol (PubChem CID 144507325) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is ethene;5-methylcyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Nameethene;5-methylcyclohepta-1,3,6-trien-1-ol
PubChem CID144507325
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nameethene;5-methylcyclohepta-1,3,6-trien-1-ol
SMILESC=C.CC1C=CC=C(O)C=C1
InChIInChI=1S/C8H10O.C2H4/c1-7-3-2-4-8(9)6-5-7;1-2/h2-7,9H,1H3;1-2H2
InChIKeyRZBWYBNAYSLLJK-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]phenol;rhenium
CID 145475750
N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 139382136
7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 142063808
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
N-[(2S)-2-(5-methylcyclohepta-1,3,6-trien-1-yl)propyl]methanimine
CID 154694138
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
cyclooctatetraenol
CID 173085987
3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
CID 153344535
N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide
CID 172601754
(7R)-7-methyl-3-[(4-methylphenyl)disulfanyl]cyclohepta-1,3,5-triene
CID 130413529
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol
CID 144769110

Frequently Asked Questions

What is the IUPAC name of ethene;5-methylcyclohepta-1,3,6-trien-1-ol?
The IUPAC name of ethene;5-methylcyclohepta-1,3,6-trien-1-ol (CID 144507325) is ethene;5-methylcyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for ethene;5-methylcyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for ethene;5-methylcyclohepta-1,3,6-trien-1-ol is C=C.CC1C=CC=C(O)C=C1.
What is the InChIKey of ethene;5-methylcyclohepta-1,3,6-trien-1-ol?
The InChIKey is RZBWYBNAYSLLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H4/c1-7-3-2-4-8(9)6-5-7;1-2/h2-7,9H,1H3;1-2H2.
What are the key properties of ethene;5-methylcyclohepta-1,3,6-trien-1-ol?
ethene;5-methylcyclohepta-1,3,6-trien-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-methylcyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 144507325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).