(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol

C10H12Cl2O — CID 22818705

IUPAC(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)[C@@H](O)CC1=C(Cl)Cl
InChIInChI=1S/C10H12Cl2O/c1-3-4-7-6(2)9(13)5-8(7)10(11)12/h3,9,13H,1,4-5H2,2H3/t9-/m0/s1
InChIKeyAPNWUAFJHSISJF-VIFPVBQESA-N
MW219.11 g/mol
LogP3.33
Rot. Bonds2

About (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol

(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 22818705) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
PubChem CID22818705
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)[C@@H](O)CC1=C(Cl)Cl
InChIInChI=1S/C10H12Cl2O/c1-3-4-7-6(2)9(13)5-8(7)10(11)12/h3,9,13H,1,4-5H2,2H3/t9-/m0/s1
InChIKeyAPNWUAFJHSISJF-VIFPVBQESA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol (CID 22818705) is (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol is C=CCC1=C(C)[C@@H](O)CC1=C(Cl)Cl.
What is the InChIKey of (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is APNWUAFJHSISJF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-3-4-7-6(2)9(13)5-8(7)10(11)12/h3,9,13H,1,4-5H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
(1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 219.11 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(dichloromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 22818705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).