(5-methylidenecyclopenta-1,3-dien-1-yl)methanol

C7H8O — CID 19419368

IUPAC(5-methylidenecyclopenta-1,3-dien-1-yl)methanol
SMILESC=C1C=CC=C1CO
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-4,8H,1,5H2
InChIKeyNICVUHKZCHQOBC-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.03
Rot. Bonds1

About (5-methylidenecyclopenta-1,3-dien-1-yl)methanol

(5-methylidenecyclopenta-1,3-dien-1-yl)methanol (PubChem CID 19419368) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is (5-methylidenecyclopenta-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(5-methylidenecyclopenta-1,3-dien-1-yl)methanol
PubChem CID19419368
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name(5-methylidenecyclopenta-1,3-dien-1-yl)methanol
SMILESC=C1C=CC=C1CO
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-4,8H,1,5H2
InChIKeyNICVUHKZCHQOBC-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methylidenecyclopenta-1,3-dien-1-yl)methanol?
The IUPAC name of (5-methylidenecyclopenta-1,3-dien-1-yl)methanol (CID 19419368) is (5-methylidenecyclopenta-1,3-dien-1-yl)methanol.
What is the SMILES notation for (5-methylidenecyclopenta-1,3-dien-1-yl)methanol?
The canonical SMILES for (5-methylidenecyclopenta-1,3-dien-1-yl)methanol is C=C1C=CC=C1CO.
What is the InChIKey of (5-methylidenecyclopenta-1,3-dien-1-yl)methanol?
The InChIKey is NICVUHKZCHQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-4,8H,1,5H2.
What are the key properties of (5-methylidenecyclopenta-1,3-dien-1-yl)methanol?
(5-methylidenecyclopenta-1,3-dien-1-yl)methanol has a molecular weight of 108.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidenecyclopenta-1,3-dien-1-yl)methanol is sourced from PubChem (CID 19419368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).