(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene

C15H23Br — CID 163194822

IUPAC(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
SMILESC=C1CCC(Br)C(C)(C)[C@@]12CC=C(C)CC2
InChIInChI=1S/C15H23Br/c1-11-7-9-15(10-8-11)12(2)5-6-13(16)14(15,3)4/h7,13H,2,5-6,8-10H2,1,3-4H3/t13?,15-/m1/s1
InChIKeyZATQJGNPERFQSF-AWKYBWMHSA-N
MW283.25 g/mol
LogP5.24
Rot. Bonds

About (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene

(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene (PubChem CID 163194822) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene.

Molecular Properties

Compound Name(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
PubChem CID163194822
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
SMILESC=C1CCC(Br)C(C)(C)[C@@]12CC=C(C)CC2
InChIInChI=1S/C15H23Br/c1-11-7-9-15(10-8-11)12(2)5-6-13(16)14(15,3)4/h7,13H,2,5-6,8-10H2,1,3-4H3/t13?,15-/m1/s1
InChIKeyZATQJGNPERFQSF-AWKYBWMHSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The IUPAC name of (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene (CID 163194822) is (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene.
What is the SMILES notation for (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The canonical SMILES for (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene is C=C1CCC(Br)C(C)(C)[C@@]12CC=C(C)CC2.
What is the InChIKey of (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The InChIKey is ZATQJGNPERFQSF-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H23Br/c1-11-7-9-15(10-8-11)12(2)5-6-13(16)14(15,3)4/h7,13H,2,5-6,8-10H2,1,3-4H3/t13?,15-/m1/s1.
What are the key properties of (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
(6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene has a molecular weight of 283.25 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene is sourced from PubChem (CID 163194822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).