2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol

C10H16O2 — CID 102596991

IUPAC2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CC1C=CC=C1
InChIInChI=1S/C10H16O2/c1-10(7-11,8-12)6-9-4-2-3-5-9/h2-5,9,11-12H,6-8H2,1H3
InChIKeyGTUWPKIUGVUOQW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.11
Rot. Bonds4

About 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol

2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol (PubChem CID 102596991) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol
PubChem CID102596991
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CC1C=CC=C1
InChIInChI=1S/C10H16O2/c1-10(7-11,8-12)6-9-4-2-3-5-9/h2-5,9,11-12H,6-8H2,1H3
InChIKeyGTUWPKIUGVUOQW-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol (CID 102596991) is 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)CC1C=CC=C1.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol?
The InChIKey is GTUWPKIUGVUOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(7-11,8-12)6-9-4-2-3-5-9/h2-5,9,11-12H,6-8H2,1H3.
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol?
2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylmethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 102596991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).