(2-methylcyclopenta-1,4-dien-1-yl)methanol

C7H10O — CID 12548972

IUPAC(2-methylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC1=C(CO)C=CC1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4,8H,3,5H2,1H3
InChIKeyIUSFXDIZZCZQKE-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.26
Rot. Bonds1

About (2-methylcyclopenta-1,4-dien-1-yl)methanol

(2-methylcyclopenta-1,4-dien-1-yl)methanol (PubChem CID 12548972) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2-methylcyclopenta-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-methylcyclopenta-1,4-dien-1-yl)methanol
PubChem CID12548972
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2-methylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC1=C(CO)C=CC1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4,8H,3,5H2,1H3
InChIKeyIUSFXDIZZCZQKE-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopenta-1,4-dien-1-yl)methanol?
The IUPAC name of (2-methylcyclopenta-1,4-dien-1-yl)methanol (CID 12548972) is (2-methylcyclopenta-1,4-dien-1-yl)methanol.
What is the SMILES notation for (2-methylcyclopenta-1,4-dien-1-yl)methanol?
The canonical SMILES for (2-methylcyclopenta-1,4-dien-1-yl)methanol is CC1=C(CO)C=CC1.
What is the InChIKey of (2-methylcyclopenta-1,4-dien-1-yl)methanol?
The InChIKey is IUSFXDIZZCZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4,8H,3,5H2,1H3.
What are the key properties of (2-methylcyclopenta-1,4-dien-1-yl)methanol?
(2-methylcyclopenta-1,4-dien-1-yl)methanol has a molecular weight of 110.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopenta-1,4-dien-1-yl)methanol is sourced from PubChem (CID 12548972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).