4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol

C15H20O — CID 67865964

IUPAC4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol
SMILESOCCC(CC1=CC=CC1)CC1=CC=CC1
InChIInChI=1S/C15H20O/c16-10-9-15(11-13-5-1-2-6-13)12-14-7-3-4-8-14/h1-5,7,15-16H,6,8-12H2
InChIKeyXLXMFWLAEGBUTR-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.54
Rot. Bonds6

About 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol

4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol (PubChem CID 67865964) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol
PubChem CID67865964
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol
SMILESOCCC(CC1=CC=CC1)CC1=CC=CC1
InChIInChI=1S/C15H20O/c16-10-9-15(11-13-5-1-2-6-13)12-14-7-3-4-8-14/h1-5,7,15-16H,6,8-12H2
InChIKeyXLXMFWLAEGBUTR-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol?
The IUPAC name of 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol (CID 67865964) is 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol.
What is the SMILES notation for 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol?
The canonical SMILES for 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol is OCCC(CC1=CC=CC1)CC1=CC=CC1.
What is the InChIKey of 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol?
The InChIKey is XLXMFWLAEGBUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c16-10-9-15(11-13-5-1-2-6-13)12-14-7-3-4-8-14/h1-5,7,15-16H,6,8-12H2.
What are the key properties of 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol?
4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol is sourced from PubChem (CID 67865964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).