(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol

C15H23BrO — CID 6393559

IUPAC(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol
SMILESC=C1CC=CC(C)(C)C1C/C=C(\C)C(O)CBr
InChIInChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+
InChIKeyPSLQVGUCVAPCDK-KPKJPENVSA-N
MW299.25 g/mol
LogP4.24
Rot. Bonds4

About (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol

(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol (PubChem CID 6393559) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol
PubChem CID6393559
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol
SMILESC=C1CC=CC(C)(C)C1C/C=C(\C)C(O)CBr
InChIInChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+
InChIKeyPSLQVGUCVAPCDK-KPKJPENVSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol?
The IUPAC name of (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol (CID 6393559) is (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol?
The canonical SMILES for (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol is C=C1CC=CC(C)(C)C1C/C=C(\C)C(O)CBr.
What is the InChIKey of (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol?
The InChIKey is PSLQVGUCVAPCDK-KPKJPENVSA-N. The full InChI is InChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+.
What are the key properties of (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol?
(E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol has a molecular weight of 299.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-5-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-3-methylpent-3-en-2-ol is sourced from PubChem (CID 6393559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).