(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol

C8H12O — CID 12024246

IUPAC(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
SMILESCC[C@@H](O)C1=CCC=C1
InChIInChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h3,5-6,8-9H,2,4H2,1H3/t8-/m1/s1
InChIKeyBMQSOWIWUYZWIT-MRVPVSSYSA-N
MW124.18 g/mol
LogP1.64
Rot. Bonds2

About (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol

(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol (PubChem CID 12024246) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
PubChem CID12024246
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
SMILESCC[C@@H](O)C1=CCC=C1
InChIInChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h3,5-6,8-9H,2,4H2,1H3/t8-/m1/s1
InChIKeyBMQSOWIWUYZWIT-MRVPVSSYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12024248
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
CID 22555230
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819
[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
CID 137225477
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine
CID 142256460
[(2S)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl] acetate
CID 155071152
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide
CID 173292448
1-cyclopenta-1,4-dien-1-ylethanol;[diphenyl(trityloxy)methyl]benzene
CID 19994099
3-amino-1-(3-butylsulfanylcyclohepta-1,3,6-trien-1-yl)propan-1-ol;butane
CID 143954749

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol?
The IUPAC name of (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol (CID 12024246) is (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol?
The canonical SMILES for (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol is CC[C@@H](O)C1=CCC=C1.
What is the InChIKey of (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol?
The InChIKey is BMQSOWIWUYZWIT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h3,5-6,8-9H,2,4H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol?
(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol is sourced from PubChem (CID 12024246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).