3-methylidenecyclohexa-1,5-dien-1-ol

C7H8O — CID 13379367

IUPAC3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(O)C=CC1
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2,4-5,8H,1,3H2
InChIKeyIBGWFUAAKBVSCP-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.94
Rot. Bonds

About 3-methylidenecyclohexa-1,5-dien-1-ol

3-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 13379367) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID13379367
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(O)C=CC1
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2,4-5,8H,1,3H2
InChIKeyIBGWFUAAKBVSCP-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-methylidenecyclohexa-1,5-dien-1-ol (CID 13379367) is 3-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-methylidenecyclohexa-1,5-dien-1-ol is C=C1C=C(O)C=CC1.
What is the InChIKey of 3-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is IBGWFUAAKBVSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2,4-5,8H,1,3H2.
What are the key properties of 3-methylidenecyclohexa-1,5-dien-1-ol?
3-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 108.14 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 13379367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).