(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol

C10H17IO — CID 88784312

IUPAC(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol
SMILESCCC1CC(C)(C(O)/C=C\I)C1
InChIInChI=1S/C10H17IO/c1-3-8-6-10(2,7-8)9(12)4-5-11/h4-5,8-9,12H,3,6-7H2,1-2H3/b5-4-
InChIKeyDGRZDVGSCSJPPT-PLNGDYQASA-N
MW280.15 g/mol
LogP3.12
Rot. Bonds3

About (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol

(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol (PubChem CID 88784312) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol
PubChem CID88784312
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol
SMILESCCC1CC(C)(C(O)/C=C\I)C1
InChIInChI=1S/C10H17IO/c1-3-8-6-10(2,7-8)9(12)4-5-11/h4-5,8-9,12H,3,6-7H2,1-2H3/b5-4-
InChIKeyDGRZDVGSCSJPPT-PLNGDYQASA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol?
The IUPAC name of (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol (CID 88784312) is (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol.
What is the SMILES notation for (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol?
The canonical SMILES for (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol is CCC1CC(C)(C(O)/C=C\I)C1.
What is the InChIKey of (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol?
The InChIKey is DGRZDVGSCSJPPT-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17IO/c1-3-8-6-10(2,7-8)9(12)4-5-11/h4-5,8-9,12H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol?
(Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol has a molecular weight of 280.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-ethyl-1-methylcyclobutyl)-3-iodoprop-2-en-1-ol is sourced from PubChem (CID 88784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).